data_ZrFeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.21
_cell_length_b   9.21
_cell_length_c   9.21
_cell_angle_alpha   21.67
_cell_angle_beta   21.67
_cell_angle_gamma   21.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFeBi2
_chemical_formula_sum   'Zr1 Fe1 Bi2'
_cell_volume   93.35
_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  0.49  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.01  1.0
  Bi  Bi1  1  0.0  0.0  0.96  1.0

data_ZrFeBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.0
_cell_length_b   3.46
_cell_length_c   9.21
_cell_angle_alpha   90.0
_cell_angle_beta   102.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrFeBi2
_chemical_formula_sum   'Zr2 Fe2 Bi4'
_cell_volume   186.7
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.51  1.0
  Fe  Fe1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  2  0.0  0.0  0.04  1.0
  Bi  Bi3  2  0.0  0.0  0.99  1.0

Zr Fe Bi Bi