data_ZrTa2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   4.78
_cell_angle_alpha   113.65
_cell_angle_beta   113.65
_cell_angle_gamma   37.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTa2Bi
_chemical_formula_sum   'Zr1 Ta2 Bi1'
_cell_volume   83.13
_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  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.2  0.0  0.26  1.0
  Ta  Ta2  1  0.36  0.0  0.06  1.0
  Bi  Bi0  1  0.28  0.0  0.16  1.0

data_ZrTa2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   4.78
_cell_length_c   5.6
_cell_angle_alpha   113.65
_cell_angle_beta   108.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTa2Bi
_chemical_formula_sum   'Zr1 Ta2 Bi1'
_cell_volume   83.13
_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  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.06  0.36  1.0
  Ta  Ta2  1  0.0  0.26  0.2  1.0
  Bi  Bi3  1  0.0  0.16  0.28  1.0

Zr Ta Ta Bi
Zr Ta Ta Bi 0 3 o o o 0 1 o o o 1 3 o o o 2 3 o o o 