# generated using pymatgen
data_LiCrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.33408800
_cell_length_b   6.67997600
_cell_length_c   9.14507605
_cell_angle_alpha   75.44465787
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrP2O7
_chemical_formula_sum   'Li4 Cr4 P8 O28'
_cell_volume   492.78013715
_cell_formula_units_Z   4
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  0.42223500  0.26069700  0.75168100  1
  Li  Li1  1  0.57776500  0.73930300  0.24831900  1
  Li  Li2  1  0.92223500  0.73930300  0.24831900  1
  Li  Li3  1  0.07776500  0.26069700  0.75168100  1
  Cr  Cr4  1  0.43380300  0.24950200  0.24996600  1
  Cr  Cr5  1  0.06619700  0.24950200  0.24996600  1
  Cr  Cr6  1  0.93380300  0.75049800  0.75003400  1
  Cr  Cr7  1  0.56619700  0.75049800  0.75003400  1
  P  P8  1  0.25000000  0.00302600  0.05344100  1
  P  P9  1  0.75000000  0.07984000  0.46972900  1
  P  P10  1  0.25000000  0.92016000  0.53027100  1
  P  P11  1  0.75000000  0.99697400  0.94655900  1
  P  P12  1  0.75000000  0.50084900  0.55533500  1
  P  P13  1  0.75000000  0.42183600  0.03201300  1
  P  P14  1  0.25000000  0.49915100  0.44466500  1
  P  P15  1  0.25000000  0.57816400  0.96798700  1
  O  O16  1  0.09481100  0.48217700  0.35387200  1
  O  O17  1  0.09494000  0.01728800  0.14513200  1
  O  O18  1  0.09875300  0.91949100  0.62183100  1
  O  O19  1  0.25000000  0.37025600  0.60548500  1
  O  O20  1  0.90124700  0.08050900  0.37816900  1
  O  O21  1  0.25000000  0.76319300  0.04680000  1
  O  O22  1  0.25000000  0.13641400  0.89395000  1
  O  O23  1  0.75000000  0.23680700  0.95320000  1
  O  O24  1  0.59494000  0.98271200  0.85486800  1
  O  O25  1  0.09842800  0.57557400  0.87673100  1
  O  O26  1  0.59842800  0.42442600  0.12326900  1
  O  O27  1  0.25000000  0.11490900  0.39092900  1
  O  O28  1  0.40506000  0.01728800  0.14513200  1
  O  O29  1  0.90506000  0.98271200  0.85486800  1
  O  O30  1  0.75000000  0.61343100  0.89047800  1
  O  O31  1  0.40124700  0.91949100  0.62183100  1
  O  O32  1  0.40157200  0.57557400  0.87673100  1
  O  O33  1  0.59875300  0.08050900  0.37816900  1
  O  O34  1  0.90518900  0.51782300  0.64612800  1
  O  O35  1  0.90157200  0.42442600  0.12326900  1
  O  O36  1  0.75000000  0.86358600  0.10605000  1
  O  O37  1  0.75000000  0.62974400  0.39451500  1
  O  O38  1  0.59481100  0.51782300  0.64612800  1
  O  O39  1  0.40518900  0.48217700  0.35387200  1
  O  O40  1  0.75000000  0.88509100  0.60907100  1
  O  O41  1  0.75000000  0.25921700  0.55452800  1
  O  O42  1  0.25000000  0.38656900  0.10952200  1
  O  O43  1  0.25000000  0.74078300  0.44547200  1
