# generated using pymatgen
data_BaCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75035294
_cell_length_b   5.75035294
_cell_length_c   9.45207400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001083
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCrO3
_chemical_formula_sum   'Ba4 Cr4 O12'
_cell_volume   270.67409917
_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
  Ba  Ba0  1  0.66666700  0.33333300  0.75000000  1.0
  Ba  Ba1  1  0.33333300  0.66666700  0.25000000  1.0
  Ba  Ba2  1  0.00000000  0.00000000  0.50000000  1.0
  Ba  Ba3  1  0.00000000  0.00000000  0.00000000  1.0
  Cr  Cr4  1  0.33333300  0.66666700  0.88994000  1.0
  Cr  Cr5  1  0.66666700  0.33333300  0.38994000  1.0
  Cr  Cr6  1  0.66666700  0.33333300  0.11006000  1.0
  Cr  Cr7  1  0.33333300  0.66666700  0.61006000  1.0
  O  O8  1  0.62657600  0.81328800  0.75000000  1.0
  O  O9  1  0.81328800  0.62657600  0.25000000  1.0
  O  O10  1  0.81328800  0.18671200  0.25000000  1.0
  O  O11  1  0.18671200  0.81328800  0.75000000  1.0
  O  O12  1  0.18671200  0.37342400  0.75000000  1.0
  O  O13  1  0.37342400  0.18671200  0.25000000  1.0
  O  O14  1  0.50000000  0.00000000  0.50000000  1.0
  O  O15  1  0.50000000  0.50000000  0.00000000  1.0
  O  O16  1  0.50000000  0.00000000  0.00000000  1.0
  O  O17  1  0.50000000  0.50000000  0.50000000  1.0
  O  O18  1  0.00000000  0.50000000  0.50000000  1.0
  O  O19  1  0.00000000  0.50000000  0.00000000  1.0