data_ZrInBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   6.14
_cell_angle_alpha   141.64
_cell_angle_beta   131.74
_cell_angle_gamma   63.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInBi2
_chemical_formula_sum   'Zr1 In1 Bi2'
_cell_volume   105.72
_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  0.77  1.0
  In  In2  1  0.0  0.51  0.1  1.0
  Bi  Bi0  1  0.0  0.51  0.14  1.0
  Bi  Bi1  1  0.0  0.0  0.67  1.0

data_ZrInBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   5.02
_cell_length_c   6.14
_cell_angle_alpha   114.13
_cell_angle_beta   109.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInBi2
_chemical_formula_sum   'Zr1 In1 Bi2'
_cell_volume   105.72
_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  0.23  0.23  0.23  1.0
  In  In1  1  0.9  0.41  0.41  1.0
  Bi  Bi2  1  0.33  0.33  0.33  1.0
  Bi  Bi3  1  0.86  0.37  0.37  1.0

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