data_Y2ReBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93
_cell_length_b   4.61
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   108.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ReBi
_chemical_formula_sum   'Y2 Re1 Bi1'
_cell_volume   101.32
_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
  Y  Y2  1  0.34  0.31  0.08  1.0
  Y  Y3  1  0.29  0.0  0.82  1.0
  Re  Re1  1  0.26  0.0  0.42  1.0
  Bi  Bi0  1  0.33  0.31  0.66  1.0

data_Y2ReBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   4.61
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   108.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ReBi
_chemical_formula_sum   'Y2 Re1 Bi1'
_cell_volume   101.32
_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
  Y  Y0  1  0.29  0.0  0.82  1.0
  Y  Y1  1  0.34  0.31  0.08  1.0
  Re  Re2  1  0.26  0.0  0.42  1.0
  Bi  Bi3  1  0.33  0.31  0.66  1.0

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