# generated using pymatgen
data_CsLiMg30O31
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.55223000
_cell_length_b   8.72609700
_cell_length_c   8.79606400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsLiMg30O31
_chemical_formula_sum   'Cs1 Li1 Mg30 O31'
_cell_volume   656.42904502
_cell_formula_units_Z   1
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
  Cs  Cs0  1  0.50000000  0.50000000  0.97618300  1
  Li  Li1  1  0.00000000  0.00000000  0.99120800  1
  Mg  Mg2  1  0.00000000  0.50000000  0.97582300  1
  Mg  Mg3  1  0.50000000  0.00000000  0.99839700  1
  Mg  Mg4  1  0.00000000  0.00000000  0.50249300  1
  Mg  Mg5  1  0.00000000  0.50000000  0.51898400  1
  Mg  Mg6  1  0.50000000  0.00000000  0.50010800  1
  Mg  Mg7  1  0.50000000  0.50000000  0.48867500  1
  Mg  Mg8  1  0.24357200  0.24200300  0.00623700  1
  Mg  Mg9  1  0.24357200  0.75799700  0.00623700  1
  Mg  Mg10  1  0.75642800  0.24200300  0.00623700  1
  Mg  Mg11  1  0.75642800  0.75799700  0.00623700  1
  Mg  Mg12  1  0.24756900  0.24441900  0.49660400  1
  Mg  Mg13  1  0.24756900  0.75558100  0.49660400  1
  Mg  Mg14  1  0.75243100  0.24441900  0.49660400  1
  Mg  Mg15  1  0.75243100  0.75558100  0.49660400  1
  Mg  Mg16  1  0.00000000  0.22480700  0.24115000  1
  Mg  Mg17  1  0.00000000  0.77519300  0.24115000  1
  Mg  Mg18  1  0.50000000  0.23914400  0.25170900  1
  Mg  Mg19  1  0.50000000  0.76085600  0.25170900  1
  Mg  Mg20  1  0.00000000  0.24303500  0.75677000  1
  Mg  Mg21  1  0.00000000  0.75696500  0.75677000  1
  Mg  Mg22  1  0.50000000  0.24298900  0.73924000  1
  Mg  Mg23  1  0.50000000  0.75701100  0.73924000  1
  Mg  Mg24  1  0.25066000  0.00000000  0.24697000  1
  Mg  Mg25  1  0.26805900  0.50000000  0.25726100  1
  Mg  Mg26  1  0.74934000  0.00000000  0.24697000  1
  Mg  Mg27  1  0.73194100  0.50000000  0.25726100  1
  Mg  Mg28  1  0.24769800  0.00000000  0.75659500  1
  Mg  Mg29  1  0.25296600  0.50000000  0.72687800  1
  Mg  Mg30  1  0.75230200  0.00000000  0.75659500  1
  Mg  Mg31  1  0.74703400  0.50000000  0.72687800  1
  O  O32  1  0.00000000  0.00000000  0.26388800  1
  O  O33  1  0.50000000  0.00000000  0.26207800  1
  O  O34  1  0.50000000  0.50000000  0.27432500  1
  O  O35  1  0.00000000  0.00000000  0.73977700  1
  O  O36  1  0.00000000  0.50000000  0.74649900  1
  O  O37  1  0.50000000  0.00000000  0.74383200  1
  O  O38  1  0.50000000  0.50000000  0.69896100  1
  O  O39  1  0.24487500  0.24831400  0.25439700  1
  O  O40  1  0.24487500  0.75168600  0.25439700  1
  O  O41  1  0.75512500  0.24831400  0.25439700  1
  O  O42  1  0.75512500  0.75168600  0.25439700  1
  O  O43  1  0.25145500  0.25695300  0.75122800  1
  O  O44  1  0.25145500  0.74304700  0.75122800  1
  O  O45  1  0.74854500  0.25695300  0.75122800  1
  O  O46  1  0.74854500  0.74304700  0.75122800  1
  O  O47  1  0.00000000  0.24976100  0.99959800  1
  O  O48  1  0.00000000  0.75023900  0.99959800  1
  O  O49  1  0.50000000  0.21694800  0.01305400  1
  O  O50  1  0.50000000  0.78305200  0.01305400  1
  O  O51  1  0.00000000  0.25619400  0.49572900  1
  O  O52  1  0.00000000  0.74380600  0.49572900  1
  O  O53  1  0.50000000  0.24414400  0.49633300  1
  O  O54  1  0.50000000  0.75585600  0.49633300  1
  O  O55  1  0.24815100  0.00000000  0.00031600  1
  O  O56  1  0.20869400  0.50000000  0.04300800  1
  O  O57  1  0.75184900  0.00000000  0.00031600  1
  O  O58  1  0.79130600  0.50000000  0.04300800  1
  O  O59  1  0.24809000  0.00000000  0.50386800  1
  O  O60  1  0.23656800  0.50000000  0.48897200  1
  O  O61  1  0.75191000  0.00000000  0.50386800  1
  O  O62  1  0.76343200  0.50000000  0.48897200  1
