data_Zr2TaBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   3.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TaBi
_chemical_formula_sum   'Zr2 Ta1 Bi1'
_cell_volume   87.26
_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  Zr2  1  0.6  0.87  0.82  1.0
  Zr  Zr3  1  0.6  0.13  0.82  1.0
  Ta  Ta1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.2  0.0  0.0  1.0

data_Zr2TaBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   98.82
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TaBi
_chemical_formula_sum   'Zr2 Ta1 Bi1'
_cell_volume   87.26
_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  0.82  0.6  0.13  1.0
  Zr  Zr1  1  0.82  0.6  0.87  1.0
  Ta  Ta2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  -0.0  0.2  0.0  1.0

Zr Zr Ta Bi