data_Zr2InBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   5.32
_cell_angle_alpha   102.35
_cell_angle_beta   102.35
_cell_angle_gamma   32.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2InBi
_chemical_formula_sum   'Zr2 In1 Bi1'
_cell_volume   95.83
_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  0.11  0.0  0.83  1.0
  Zr  Zr3  1  0.21  0.0  0.63  1.0
  In  In1  1  0.86  0.0  0.26  1.0
  Bi  Bi0  1  0.17  0.0  0.26  1.0

data_Zr2InBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.32
_cell_length_c   5.89
_cell_angle_alpha   102.35
_cell_angle_beta   106.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2InBi
_chemical_formula_sum   'Zr2 In1 Bi1'
_cell_volume   95.83
_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  0.63  0.21  1.0
  Zr  Zr1  1  0.0  0.83  0.11  1.0
  In  In2  1  0.0  0.26  0.86  1.0
  Bi  Bi3  1  0.0  0.26  0.17  1.0

Zr Zr In Bi
Zr Zr In Bi 0 1 o o o 1 3 o o o 2 3 + o o 