# generated using pymatgen
data_BaCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72824415
_cell_length_b   5.72824415
_cell_length_c   13.95203700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000177
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCrO3
_chemical_formula_sum   'Ba6 Cr6 O18'
_cell_volume   396.47087042
_cell_formula_units_Z   6
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  0.00000000  0.00000000  0.25000000  1.0
  Ba  Ba1  1  0.00000000  0.00000000  0.75000000  1.0
  Ba  Ba2  1  0.33333300  0.66666700  0.09198600  1.0
  Ba  Ba3  1  0.66666700  0.33333300  0.59198600  1.0
  Ba  Ba4  1  0.66666700  0.33333300  0.90801400  1.0
  Ba  Ba5  1  0.33333300  0.66666700  0.40801400  1.0
  Cr  Cr6  1  0.00000000  0.00000000  0.00000000  1.0
  Cr  Cr7  1  0.00000000  0.00000000  0.50000000  1.0
  Cr  Cr8  1  0.33333300  0.66666700  0.84568100  1.0
  Cr  Cr9  1  0.66666700  0.33333300  0.34568100  1.0
  Cr  Cr10  1  0.66666700  0.33333300  0.15431900  1.0
  Cr  Cr11  1  0.33333300  0.66666700  0.65431900  1.0
  O  O12  1  0.52065000  0.47935000  0.25000000  1.0
  O  O13  1  0.04130000  0.52065000  0.75000000  1.0
  O  O14  1  0.47935000  0.95870000  0.75000000  1.0
  O  O15  1  0.52065000  0.04130000  0.25000000  1.0
  O  O16  1  0.95870000  0.47935000  0.25000000  1.0
  O  O17  1  0.47935000  0.52065000  0.75000000  1.0
  O  O18  1  0.83024400  0.16975600  0.08170800  1.0
  O  O19  1  0.66048900  0.83024400  0.58170800  1.0
  O  O20  1  0.16975600  0.33951100  0.58170800  1.0
  O  O21  1  0.83024400  0.66048900  0.08170800  1.0
  O  O22  1  0.33951100  0.16975600  0.08170800  1.0
  O  O23  1  0.66048900  0.83024400  0.91829200  1.0
  O  O24  1  0.16975600  0.33951100  0.91829200  1.0
  O  O25  1  0.16975600  0.83024400  0.58170800  1.0
  O  O26  1  0.16975600  0.83024400  0.91829200  1.0
  O  O27  1  0.83024400  0.16975600  0.41829200  1.0
  O  O28  1  0.33951100  0.16975600  0.41829200  1.0
  O  O29  1  0.83024400  0.66048900  0.41829200  1.0