# generated using pymatgen
data_Li2CrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.05528631
_cell_length_b   8.05528631
_cell_length_c   8.76182724
_cell_angle_alpha   66.26263922
_cell_angle_beta   66.26263922
_cell_angle_gamma   35.65038318
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CrP2O7
_chemical_formula_sum   'Li4 Cr2 P4 O14'
_cell_volume   300.28227814
_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  0.83340356  0.54659729  0.44771022  1
  Li  Li1  1  0.16659644  0.45340271  0.55228978  1
  Li  Li2  1  0.45340271  0.16659644  0.05228978  1
  Li  Li3  1  0.54659729  0.83340356  0.94771022  1
  Cr  Cr4  1  0.50000000  0.50000000  0.00000000  1
  Cr  Cr5  1  0.50000000  0.50000000  0.50000000  1
  P  P6  1  0.23458529  0.97131386  0.68530328  1
  P  P7  1  0.76541471  0.02868614  0.31469672  1
  P  P8  1  0.97131386  0.23458529  0.18530328  1
  P  P9  1  0.02868614  0.76541471  0.81469672  1
  O  O10  1  0.75587736  0.44680036  0.06062459  1
  O  O11  1  0.74189708  0.90097285  0.88981164  1
  O  O12  1  0.25810292  0.09902715  0.11018836  1
  O  O13  1  0.09902715  0.25810292  0.61018836  1
  O  O14  1  0.02321756  0.97678244  0.25000000  1
  O  O15  1  0.84104315  0.36980389  0.34081755  1
  O  O16  1  0.24412264  0.55319964  0.93937541  1
  O  O17  1  0.36980389  0.84104315  0.84081755  1
  O  O18  1  0.90097285  0.74189708  0.38981164  1
  O  O19  1  0.97678244  0.02321756  0.75000000  1
  O  O20  1  0.63019611  0.15895685  0.15918245  1
  O  O21  1  0.55319964  0.24412264  0.43937541  1
  O  O22  1  0.15895685  0.63019611  0.65918245  1
  O  O23  1  0.44680036  0.75587736  0.56062459  1
