# generated using pymatgen
data_Li2Fe(PO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.46880900
_cell_length_b   5.15685000
_cell_length_c   8.85754399
_cell_angle_alpha   78.13001497
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Fe(PO3)5
_chemical_formula_sum   'Li4 Fe2 P10 O30'
_cell_volume   602.05991167
_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  0.61600800  0.94079100  0.09700700  1
  Li  Li1  1  0.38399200  0.05920900  0.90299300  1
  Li  Li2  1  0.11600800  0.05920900  0.90299300  1
  Li  Li3  1  0.88399200  0.94079100  0.09700700  1
  Fe  Fe4  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe5  1  0.50000000  0.50000000  0.50000000  1
  P  P6  1  0.85863800  0.99890400  0.51660000  1
  P  P7  1  0.92324800  0.65867500  0.81589700  1
  P  P8  1  0.35863800  0.00109600  0.48340000  1
  P  P9  1  0.42324800  0.34132500  0.18410300  1
  P  P10  1  0.57675200  0.65867500  0.81589700  1
  P  P11  1  0.75000000  0.45491700  0.01357000  1
  P  P12  1  0.07675200  0.34132500  0.18410300  1
  P  P13  1  0.14136200  0.00109600  0.48340000  1
  P  P14  1  0.25000000  0.54508300  0.98643000  1
  P  P15  1  0.64136200  0.99890400  0.51660000  1
  O  O16  1  0.42687500  0.14998100  0.57168000  1
  O  O17  1  0.25000000  0.80854900  0.87756000  1
  O  O18  1  0.37276700  0.70753900  0.49818200  1
  O  O19  1  0.03200800  0.19024100  0.07445300  1
  O  O20  1  0.14557700  0.13885700  0.30536100  1
  O  O21  1  0.75000000  0.19145100  0.12244000  1
  O  O22  1  0.12723300  0.70753900  0.49818200  1
  O  O23  1  0.00939800  0.48737400  0.27530600  1
  O  O24  1  0.85442300  0.86114300  0.69463900  1
  O  O25  1  0.75000000  0.94496000  0.45888900  1
  O  O26  1  0.49060200  0.48737400  0.27530600  1
  O  O27  1  0.25000000  0.28731900  0.93394400  1
  O  O28  1  0.46799200  0.19024100  0.07445300  1
  O  O29  1  0.34314100  0.55555400  0.10388200  1
  O  O30  1  0.92687500  0.85001900  0.42832000  1
  O  O31  1  0.07312500  0.14998100  0.57168000  1
  O  O32  1  0.53200800  0.80975900  0.92554700  1
  O  O33  1  0.35442300  0.13885700  0.30536100  1
  O  O34  1  0.50939800  0.51262600  0.72469400  1
  O  O35  1  0.15685900  0.55555400  0.10388200  1
  O  O36  1  0.65685900  0.44444600  0.89611800  1
  O  O37  1  0.96799200  0.80975900  0.92554700  1
  O  O38  1  0.64557700  0.86114300  0.69463900  1
  O  O39  1  0.75000000  0.71268100  0.06605600  1
  O  O40  1  0.99060200  0.51262600  0.72469400  1
  O  O41  1  0.84314100  0.44444600  0.89611800  1
  O  O42  1  0.25000000  0.05504000  0.54111100  1
  O  O43  1  0.57312500  0.85001900  0.42832000  1
  O  O44  1  0.62723300  0.29246100  0.50181800  1
  O  O45  1  0.87276700  0.29246100  0.50181800  1
