data_BaCr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   99.78
_cell_angle_beta   99.78
_cell_angle_gamma   131.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCr4
_chemical_formula_sum   'Ba1 Cr4'
_cell_volume   120.01
_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  0.0  1.0
  Cr  Cr1  1  0.0  0.32  0.0  1.0
  Cr  Cr2  1  0.32  0.21  0.0  1.0
  Cr  Cr3  1  0.6  0.28  0.31  1.0
  Cr  Cr4  1  0.28  0.4  0.31  1.0

data_BaCr4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.61
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   80.22
_cell_angle_beta   65.66
_cell_angle_gamma   65.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCr4
_chemical_formula_sum   'Ba1 Cr4'
_cell_volume   120.01
_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  0.0  1.0
  Cr  Cr1  1  0.09  0.31  0.89  1.0
  Cr  Cr2  1  0.21  0.0  0.11  1.0
  Cr  Cr3  1  0.32  0.0  0.68  1.0
  Cr  Cr4  1  0.98  0.31  0.32  1.0

Ba Cr Cr Cr Cr