data_Ba4Cr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58
_cell_length_b   6.58
_cell_length_c   7.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4Cr3
_chemical_formula_sum   'Ba4 Cr3'
_cell_volume   267.96
_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  0.28  1.0
  Ba  Ba1  1  0.0  0.0  0.87  1.0
  Ba  Ba2  1  0.0  0.8  0.0  1.0
  Ba  Ba3  1  0.29  0.9  0.0  1.0
  Cr  Cr4  1  0.65  0.85  0.57  1.0
  Cr  Cr5  1  0.29  0.0  0.57  1.0
  Cr  Cr6  1  0.35  0.85  0.57  1.0

data_Ba4Cr3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.58
_cell_length_b   6.58
_cell_length_c   7.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4Cr3
_chemical_formula_sum   'Ba4 Cr3'
_cell_volume   267.96
_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  0.28  1.0
  Ba  Ba1  1  0.0  0.0  0.87  1.0
  Ba  Ba2  1  0.0  0.8  0.0  1.0
  Ba  Ba3  1  0.29  0.9  0.0  1.0
  Cr  Cr4  1  0.29  0.0  0.57  1.0
  Cr  Cr5  1  0.35  0.85  0.57  1.0
  Cr  Cr6  1  0.65  0.85  0.57  1.0

Ba Ba Ba Ba Cr Cr Cr