# generated using pymatgen
data_LiCrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27539285
_cell_length_b   6.27416147
_cell_length_c   13.63717796
_cell_angle_alpha   77.08608276
_cell_angle_beta   80.52694037
_cell_angle_gamma   98.87390009
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrP2O7
_chemical_formula_sum   'Li4 Cr4 P8 O28'
_cell_volume   505.92242179
_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  0.21293000  0.60792200  0.66324800  1
  Li  Li1  1  0.77198400  0.87808300  0.83670800  1
  Li  Li2  1  0.23316200  0.12678500  0.15971700  1
  Li  Li3  1  0.78814700  0.39244300  0.33638200  1
  Cr  Cr4  1  0.41530100  0.99671300  0.35901500  1
  Cr  Cr5  1  0.14406400  0.22885400  0.85817700  1
  Cr  Cr6  1  0.85493200  0.77422800  0.13984900  1
  Cr  Cr7  1  0.58783500  0.00419200  0.63921200  1
  P  P8  1  0.26779100  0.76303600  0.86556900  1
  P  P9  1  0.34878500  0.67286900  0.08975900  1
  P  P10  1  0.26305300  0.44161500  0.40817400  1
  P  P11  1  0.87450100  0.86619800  0.36605300  1
  P  P12  1  0.12882700  0.13617900  0.63212400  1
  P  P13  1  0.74004800  0.56052900  0.58961700  1
  P  P14  1  0.64989600  0.33082600  0.90831000  1
  P  P15  1  0.73141200  0.23900400  0.13232600  1
  O  O16  1  0.08336300  0.89639800  0.88530100  1
  O  O17  1  0.18517500  0.82233200  0.11955500  1
  O  O18  1  0.28246200  0.97226000  0.61191900  1
  O  O19  1  0.47272300  0.91203700  0.78789000  1
  O  O20  1  0.08246200  0.44257000  0.35120300  1
  O  O21  1  0.18012700  0.55809700  0.83033600  1
  O  O22  1  0.34407000  0.68117200  0.96902000  1
  O  O23  1  0.37459300  0.67381600  0.41585000  1
  O  O24  1  0.58843900  0.79044900  0.08342500  1
  O  O25  1  0.29111500  0.43497300  0.14604200  1
  O  O26  1  0.14775600  0.31443100  0.52850700  1
  O  O27  1  0.55985100  0.69371900  0.61902800  1
  O  O28  1  0.88886800  0.01337700  0.66865100  1
  O  O29  1  0.20203100  0.26481600  0.70928700  1
  O  O30  1  0.80107800  0.73894400  0.28853400  1
  O  O31  1  0.11444600  0.98868000  0.33029200  1
  O  O32  1  0.44228400  0.30785400  0.37816200  1
  O  O33  1  0.85468000  0.68617500  0.46922800  1
  O  O34  1  0.70671800  0.56933900  0.85299800  1
  O  O35  1  0.41099400  0.21259400  0.91383400  1
  O  O36  1  0.63063200  0.32712200  0.58251500  1
  O  O37  1  0.65156700  0.32011000  0.02963900  1
  O  O38  1  0.81568400  0.44364900  0.16853100  1
  O  O39  1  0.92047400  0.56264000  0.64674100  1
  O  O40  1  0.52841600  0.08624400  0.21020600  1
  O  O41  1  0.72098900  0.03019700  0.38650700  1
  O  O42  1  0.81424000  0.18257900  0.87802700  1
  O  O43  1  0.91701200  0.10781600  0.11110100  1
