# generated using pymatgen
data_CaCr2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99033859
_cell_length_b   9.06420347
_cell_length_c   10.63005768
_cell_angle_alpha   90.00021635
_cell_angle_beta   89.99996973
_cell_angle_gamma   89.99998704
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCr2O4
_chemical_formula_sum   'Ca4 Cr8 O16'
_cell_volume   288.12811123
_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
  Ca  Ca0  1  0.74999941  0.24027010  0.34078986  1.0
  Ca  Ca1  1  0.24999902  0.75973041  0.65920925  1.0
  Ca  Ca2  1  0.74999780  0.74027048  0.15921773  1.0
  Ca  Ca3  1  0.24999872  0.25973020  0.84078211  1.0
  Cr  Cr4  1  0.75001635  0.05986731  0.11283862  1.0
  Cr  Cr5  1  0.25000830  0.94013301  0.88716171  1.0
  Cr  Cr6  1  0.74999140  0.58384201  0.89895131  1.0
  Cr  Cr7  1  0.24999517  0.41615744  0.10104909  1.0
  Cr  Cr8  1  0.75001834  0.55986495  0.38716339  1.0
  Cr  Cr9  1  0.25000608  0.44013451  0.61283671  1.0
  Cr  Cr10  1  0.74999379  0.08384240  0.60104786  1.0
  Cr  Cr11  1  0.24999561  0.91615767  0.39895109  1.0
  O  O12  1  0.74999589  0.79834944  0.83882541  1.0
  O  O13  1  0.24999785  0.20165054  0.16117433  1.0
  O  O14  1  0.74999519  0.29835028  0.66116642  1.0
  O  O15  1  0.24999751  0.70164975  0.33883262  1.0
  O  O16  1  0.74999896  0.88313077  0.52409303  1.0
  O  O17  1  0.25000378  0.11687094  0.47590575  1.0
  O  O18  1  0.74999906  0.38312760  0.97590436  1.0
  O  O19  1  0.24999605  0.61687190  0.02409598  1.0
  O  O20  1  0.75000148  0.47160658  0.21426778  1.0
  O  O21  1  0.24999492  0.52839218  0.78573270  1.0
  O  O22  1  0.75000102  0.97160626  0.28573425  1.0
  O  O23  1  0.24999892  0.02839437  0.71426571  1.0
  O  O24  1  0.74999789  0.58108638  0.57335572  1.0
  O  O25  1  0.24999918  0.41891333  0.42664437  1.0
  O  O26  1  0.74999889  0.08108603  0.92664424  1.0
  O  O27  1  0.24999942  0.91891415  0.07335558  1.0