data_ZrFeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   134.81
_cell_angle_beta   134.81
_cell_angle_gamma   65.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFeBi2
_chemical_formula_sum   'Zr1 Fe1 Bi2'
_cell_volume   88.12
_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  0.16  0.0  0.36  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.72  1.0
  Bi  Bi1  1  0.0  0.16  0.36  1.0

data_ZrFeBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   5.62
_cell_angle_alpha   112.59
_cell_angle_beta   112.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFeBi2
_chemical_formula_sum   'Zr1 Fe1 Bi2'
_cell_volume   88.12
_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  0.36  0.2  0.2  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.2  0.36  0.2  1.0
  Bi  Bi3  1  0.72  0.72  0.72  1.0

Zr Fe Bi Bi
Zr Fe Bi Bi 0 3 o o o 0 1 o o o 1 3 o o o 1 2 o o - 