# generated using pymatgen
data_LiCa9Mn(PO4)7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.90664939
_cell_length_b   13.90664939
_cell_length_c   13.90664872
_cell_angle_alpha   44.09217819
_cell_angle_beta   44.09217819
_cell_angle_gamma   44.09217907
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCa9Mn(PO4)7
_chemical_formula_sum   'Li2 Ca18 Mn2 P14 O56'
_cell_volume   1182.91560499
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.17804000  0.17804000  0.17804000  1
  Li  Li1  1  0.67804000  0.67804000  0.67804000  1
  Ca  Ca2  1  0.16007700  0.56502800  0.57669200  1
  Ca  Ca3  1  0.35329800  0.90678400  0.93440500  1
  Ca  Ca4  1  0.90678400  0.93440500  0.35329800  1
  Ca  Ca5  1  0.96963200  0.94994100  0.55873700  1
  Ca  Ca6  1  0.66007700  0.07669200  0.06502800  1
  Ca  Ca7  1  0.55873700  0.96963200  0.94994100  1
  Ca  Ca8  1  0.46963200  0.05873700  0.44994100  1
  Ca  Ca9  1  0.93440500  0.35329800  0.90678400  1
  Ca  Ca10  1  0.40678400  0.85329800  0.43440500  1
  Ca  Ca11  1  0.57669200  0.16007700  0.56502800  1
  Ca  Ca12  1  0.56502800  0.57669200  0.16007700  1
  Ca  Ca13  1  0.43440500  0.40678400  0.85329800  1
  Ca  Ca14  1  0.44994100  0.46963200  0.05873700  1
  Ca  Ca15  1  0.05873700  0.44994100  0.46963200  1
  Ca  Ca16  1  0.07669200  0.06502800  0.66007700  1
  Ca  Ca17  1  0.85329800  0.43440500  0.40678400  1
  Ca  Ca18  1  0.06502800  0.66007700  0.07669200  1
  Ca  Ca19  1  0.94994100  0.55873700  0.96963200  1
  Mn  Mn20  1  0.00204600  0.00204600  0.00204600  1
  Mn  Mn21  1  0.50204600  0.50204600  0.50204600  1
  P  P22  1  0.18617300  0.68633200  0.72564100  1
  P  P23  1  0.22564100  0.18633200  0.68617300  1
  P  P24  1  0.26872700  0.83069100  0.30554400  1
  P  P25  1  0.33069100  0.76872700  0.80554400  1
  P  P26  1  0.72564100  0.18617300  0.68633200  1
  P  P27  1  0.18633200  0.68617300  0.22564100  1
  P  P28  1  0.68633200  0.72564100  0.18617300  1
  P  P29  1  0.68617300  0.22564100  0.18633200  1
  P  P30  1  0.76686800  0.76686800  0.76686800  1
  P  P31  1  0.30554400  0.26872700  0.83069100  1
  P  P32  1  0.76872700  0.80554400  0.33069100  1
  P  P33  1  0.26686800  0.26686800  0.26686800  1
  P  P34  1  0.83069100  0.30554400  0.26872700  1
  P  P35  1  0.80554400  0.33069100  0.76872700  1
  O  O36  1  0.17256600  0.61516100  0.18916700  1
  O  O37  1  0.11516100  0.67256600  0.68916700  1
  O  O38  1  0.39851000  0.08955500  0.64619400  1
  O  O39  1  0.15569900  0.86914000  0.87576900  1
  O  O40  1  0.37576900  0.36914000  0.65569900  1
  O  O41  1  0.08955500  0.64619400  0.39851000  1
  O  O42  1  0.36309100  0.62196500  0.63807500  1
  O  O43  1  0.65569900  0.37576900  0.36914000  1
  O  O44  1  0.13259800  0.34532500  0.88149900  1
  O  O45  1  0.33724500  0.24870100  0.93283200  1
  O  O46  1  0.25492000  0.11170700  0.39440900  1
  O  O47  1  0.39440900  0.25492000  0.11170700  1
  O  O48  1  0.33823100  0.60773100  0.89279400  1
  O  O49  1  0.38149900  0.84532500  0.63259800  1
  O  O50  1  0.93283200  0.33724500  0.24870100  1
  O  O51  1  0.74870100  0.83724500  0.43283200  1
  O  O52  1  0.89851000  0.14619400  0.58955500  1
  O  O53  1  0.14619400  0.58955500  0.89851000  1
  O  O54  1  0.84532500  0.63259800  0.38149900  1
  O  O55  1  0.67204200  0.12498700  0.85713800  1
  O  O56  1  0.60773100  0.89279400  0.33823100  1
  O  O57  1  0.30819400  0.30819400  0.30819400  1
  O  O58  1  0.10773100  0.83823100  0.39279400  1
  O  O59  1  0.35713800  0.62498700  0.17204200  1
  O  O60  1  0.63259800  0.38149900  0.84532500  1
  O  O61  1  0.83724500  0.43283200  0.74870100  1
  O  O62  1  0.13807500  0.12196500  0.86309100  1
  O  O63  1  0.75492000  0.89440900  0.61170700  1
  O  O64  1  0.39279400  0.10773100  0.83823100  1
  O  O65  1  0.67256600  0.68916700  0.11516100  1
  O  O66  1  0.34532500  0.88149900  0.13259800  1
  O  O67  1  0.36914000  0.65569900  0.37576900  1
  O  O68  1  0.58955500  0.89851000  0.14619400  1
  O  O69  1  0.89279400  0.33823100  0.60773100  1
  O  O70  1  0.64619400  0.39851000  0.08955500  1
  O  O71  1  0.11170700  0.39440900  0.25492000  1
  O  O72  1  0.63807500  0.36309100  0.62196500  1
  O  O73  1  0.88149900  0.13259800  0.34532500  1
  O  O74  1  0.62498700  0.17204200  0.35713800  1
  O  O75  1  0.61516100  0.18916700  0.17256600  1
  O  O76  1  0.18916700  0.17256600  0.61516100  1
  O  O77  1  0.12498700  0.85713800  0.67204200  1
  O  O78  1  0.87576900  0.15569900  0.86914000  1
  O  O79  1  0.68916700  0.11516100  0.67256600  1
  O  O80  1  0.86914000  0.87576900  0.15569900  1
  O  O81  1  0.61170700  0.75492000  0.89440900  1
  O  O82  1  0.43283200  0.74870100  0.83724500  1
  O  O83  1  0.89440900  0.61170700  0.75492000  1
  O  O84  1  0.62196500  0.63807500  0.36309100  1
  O  O85  1  0.83823100  0.39279400  0.10773100  1
  O  O86  1  0.17204200  0.35713800  0.62498700  1
  O  O87  1  0.85713800  0.67204200  0.12498700  1
  O  O88  1  0.24870100  0.93283200  0.33724500  1
  O  O89  1  0.86309100  0.13807500  0.12196500  1
  O  O90  1  0.12196500  0.86309100  0.13807500  1
  O  O91  1  0.80819400  0.80819400  0.80819400  1
