data_ZrNb2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   4.77
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   101.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNb2Bi
_chemical_formula_sum   'Zr1 Nb2 Bi1'
_cell_volume   85.37
_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
  Zr  Zr3  1  0.06  0.0  0.69  1.0
  Nb  Nb1  1  1.0  0.0  0.19  1.0
  Nb  Nb2  1  0.21  0.39  0.32  1.0
  Bi  Bi0  1  0.72  0.39  0.24  1.0

data_ZrNb2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.77
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   101.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNb2Bi
_chemical_formula_sum   'Zr1 Nb2 Bi1'
_cell_volume   85.37
_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
  Zr  Zr0  1  0.06  0.0  0.69  1.0
  Nb  Nb1  1  0.21  0.39  0.32  1.0
  Nb  Nb2  1  1.0  0.0  0.19  1.0
  Bi  Bi3  1  0.72  0.39  0.24  1.0

Zr Nb Nb Bi
Zr Nb Nb Bi 0 3 - o o 0 2 - o o 0 2 o o o 0 1 - o o 0 1 - o + 0 0 + o o 1 3 o o o 1 2 + o o 2 3 - o o 2 3 o o o 