data_BaRePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   6.38
_cell_angle_alpha   153.25
_cell_angle_beta   142.34
_cell_angle_gamma   46.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaRePt
_chemical_formula_sum   'Ba1 Re1 Pt1'
_cell_volume   71.1
_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
  Re  Re2  1  0.0  0.0  0.31  1.0
  Pt  Pt1  1  0.0  0.0  0.4  1.0

data_BaRePt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.12
_cell_length_c   6.38
_cell_angle_alpha   108.83
_cell_angle_beta   103.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaRePt
_chemical_formula_sum   'Ba1 Re1 Pt1'
_cell_volume   71.1
_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  1.0  1.0  1.0  1.0
  Re  Re1  1  0.69  0.69  0.69  1.0
  Pt  Pt2  1  0.6  0.6  0.6  1.0

Ba Re Pt