data_BaCaCr4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   7.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCaCr4O8
_chemical_formula_sum   'Ba1 Ca1 Cr4 O8'
_cell_volume   205.86
_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  0.0  0.0  0.93  1.0
  Ca  Ca1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.0  0.18  0.04  1.0
  Cr  Cr3  1  0.75  0.59  0.04  1.0
  Cr  Cr4  1  0.0  0.18  0.82  1.0
  Cr  Cr5  1  0.75  0.59  0.82  1.0
  O  O6  1  0.9  0.56  0.55  1.0
  O  O7  1  0.7  0.0  0.55  1.0
  O  O8  1  0.15  0.2  0.55  1.0
  O  O9  1  0.85  0.2  0.31  1.0
  O  O10  1  0.1  0.56  0.31  1.0
  O  O11  1  0.8  0.0  0.31  1.0
  O  O12  1  0.0  0.18  0.93  1.0
  O  O13  1  0.75  0.59  0.93  1.0

data_BaCaCr4O8
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   7.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCaCr4O8
_chemical_formula_sum   'Ba1 Ca1 Cr4 O8'
_cell_volume   205.86
_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  0.0  0.0  0.93  1.0
  Ca  Ca1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  -0.0  0.18  0.04  1.0
  Cr  Cr3  1  -0.0  0.18  0.82  1.0
  Cr  Cr4  1  0.75  0.59  0.04  1.0
  Cr  Cr5  1  0.75  0.59  0.82  1.0
  O  O6  1  -0.0  0.18  0.93  1.0
  O  O7  1  0.1  0.56  0.31  1.0
  O  O8  1  0.15  0.2  0.55  1.0
  O  O9  1  0.7  0.0  0.55  1.0
  O  O10  1  0.75  0.59  0.93  1.0
  O  O11  1  0.8  0.0  0.31  1.0
  O  O12  1  0.85  0.2  0.31  1.0
  O  O13  1  0.9  0.56  0.55  1.0

Ba Ca Cr Cr Cr Cr O O O O O O O O