# generated using pymatgen
data_CaCrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.25420244
_cell_length_b   9.25420244
_cell_length_c   9.52434014
_cell_angle_alpha   66.32206289
_cell_angle_beta   66.32206289
_cell_angle_gamma   19.27550926
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCrO2
_chemical_formula_sum   'Ca4 Cr4 O8'
_cell_volume   245.90886702
_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  0.67232300  0.67232300  0.29223000  1.0
  Ca  Ca1  1  0.32767700  0.32767700  0.70777000  1.0
  Ca  Ca2  1  0.98590700  0.98590700  0.30065200  1.0
  Ca  Ca3  1  0.01409300  0.01409300  0.69934800  1.0
  Cr  Cr4  1  0.35389200  0.35389200  0.00320500  1.0
  Cr  Cr5  1  0.81168000  0.81168000  0.36216100  1.0
  Cr  Cr6  1  0.18832000  0.18832000  0.63783900  1.0
  Cr  Cr7  1  0.64610800  0.64610800  0.99679500  1.0
  O  O8  1  0.18419400  0.18419400  0.84989200  1.0
  O  O9  1  0.60961300  0.60961300  0.66247900  1.0
  O  O10  1  0.39038700  0.39038700  0.33752100  1.0
  O  O11  1  0.81580600  0.81580600  0.15010800  1.0
  O  O12  1  0.87629200  0.87629200  0.83660500  1.0
  O  O13  1  0.22841100  0.22841100  0.40463500  1.0
  O  O14  1  0.12370800  0.12370800  0.16339500  1.0
  O  O15  1  0.77158900  0.77158900  0.59536500  1.0