data_ReBi2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   6.92
_cell_angle_alpha   104.91
_cell_angle_beta   104.91
_cell_angle_gamma   54.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReBi2Os
_chemical_formula_sum   'Re1 Bi2 Os1'
_cell_volume   99.36
_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
  Re  Re3  1  0.24  0.0  0.21  1.0
  Bi  Bi0  1  0.0  0.0  0.52  1.0
  Bi  Bi1  1  0.38  0.0  0.44  1.0
  Os  Os2  1  0.8  0.0  0.77  1.0

data_ReBi2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   4.29
_cell_length_c   6.92
_cell_angle_alpha   104.91
_cell_angle_beta   90.0
_cell_angle_gamma   117.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReBi2Os
_chemical_formula_sum   'Re1 Bi2 Os1'
_cell_volume   99.36
_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
  Re  Re0  1  0.0  0.76  0.79  1.0
  Bi  Bi1  1  0.0  0.62  0.56  1.0
  Bi  Bi2  1  0.0  1.0  0.48  1.0
  Os  Os3  1  0.0  0.2  0.23  1.0

Re Bi Bi Os