# generated using pymatgen
data_Ba3Cr2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.90611461
_cell_length_b   7.90611409
_cell_length_c   7.90611312
_cell_angle_alpha   42.74859419
_cell_angle_beta   42.74860748
_cell_angle_gamma   42.74859236
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3Cr2O8
_chemical_formula_sum   'Ba3 Cr2 O8'
_cell_volume   206.27617031
_cell_formula_units_Z   1
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  0.79404292  0.79404292  0.79404292  1.0
  Ba  Ba1  1  0.20596572  0.20596572  0.20596572  1.0
  Ba  Ba2  1  0.99999348  0.99999348  0.99999348  1.0
  Cr  Cr3  1  0.59271152  0.59271152  0.59271152  1.0
  Cr  Cr4  1  0.40728735  0.40728735  0.40728735  1.0
  O  O5  1  0.67121439  0.67121439  0.67121439  1.0
  O  O6  1  0.32879774  0.32879774  0.32879774  1.0
  O  O7  1  0.27392163  0.27392263  0.75608503  1.0
  O  O8  1  0.27392163  0.75608503  0.27392163  1.0
  O  O9  1  0.75608503  0.27392263  0.27392163  1.0
  O  O10  1  0.72609183  0.24387293  0.72609183  1.0
  O  O11  1  0.72609283  0.72609183  0.24387293  1.0
  O  O12  1  0.24387293  0.72609183  0.72609283  1.0