# generated using pymatgen
data_BaCaCr4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37510954
_cell_length_b   5.37510954
_cell_length_c   7.62886559
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCaCr4O12
_chemical_formula_sum   'Ba1 Ca1 Cr4 O12'
_cell_volume   220.41167844
_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  0.50000000  0.50000000  0.00000000  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.50000000  1.0
  Cr  Cr2  1  -0.00000000  0.50000000  0.74654926  1.0
  Cr  Cr3  1  -0.00000000  0.50000000  0.25345074  1.0
  Cr  Cr4  1  0.50000000  0.00000000  0.74654926  1.0
  Cr  Cr5  1  0.50000000  0.00000000  0.25345074  1.0
  O  O6  1  0.24539705  0.24539705  0.73999015  1.0
  O  O7  1  0.24539705  0.24539705  0.26000985  1.0
  O  O8  1  0.75460295  0.75460295  0.26000985  1.0
  O  O9  1  0.75460295  0.75460295  0.73999015  1.0
  O  O10  1  0.75460295  0.24539705  0.73999015  1.0
  O  O11  1  0.75460295  0.24539705  0.26000985  1.0
  O  O12  1  0.24539705  0.75460295  0.26000985  1.0
  O  O13  1  0.24539705  0.75460295  0.73999015  1.0
  O  O14  1  0.00000000  0.50000000  0.50000000  1.0
  O  O15  1  0.00000000  0.50000000  0.00000000  1.0
  O  O16  1  0.50000000  0.00000000  0.50000000  1.0
  O  O17  1  0.50000000  0.00000000  0.00000000  1.0