data_BaCr2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   129.58
_cell_angle_beta   129.58
_cell_angle_gamma   74.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCr2Ga
_chemical_formula_sum   'Ba1 Cr2 Ga1'
_cell_volume   85.54
_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  0.25  0.11  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.25  0.0  0.11  1.0
  Ga  Ga3  1  0.0  0.0  0.22  1.0

data_BaCr2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   5.29
_cell_angle_alpha   115.21
_cell_angle_beta   115.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCr2Ga
_chemical_formula_sum   'Ba1 Cr2 Ga1'
_cell_volume   85.54
_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  0.86  0.11  0.86  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.11  0.86  0.86  1.0
  Ga  Ga3  1  0.22  0.22  0.22  1.0

Ba Cr Cr Ga