data_Ta2ReBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   4.62
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   105.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2ReBi
_chemical_formula_sum   'Ta2 Re1 Bi1'
_cell_volume   78.79
_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
  Ta  Ta2  1  0.63  0.31  0.44  1.0
  Ta  Ta3  1  0.05  0.0  0.24  1.0
  Re  Re1  1  0.65  0.0  0.44  1.0
  Bi  Bi0  1  0.51  0.31  0.78  1.0

data_Ta2ReBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.62
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   105.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2ReBi
_chemical_formula_sum   'Ta2 Re1 Bi1'
_cell_volume   78.79
_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
  Ta  Ta0  1  0.05  0.0  0.24  1.0
  Ta  Ta1  1  0.63  0.31  0.44  1.0
  Re  Re2  1  0.65  0.0  0.44  1.0
  Bi  Bi3  1  0.51  0.31  0.78  1.0

Ta Ta Re Bi
Ta Ta Re Bi 0 2 o o o 0 3 o o o 1 2 - o o 1 2 o o o 