data_ZrBi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.91
_cell_angle_alpha   105.85
_cell_angle_beta   105.85
_cell_angle_gamma   37.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBi2Pd
_chemical_formula_sum   'Zr1 Bi2 Pd1'
_cell_volume   96.37
_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  0.0  1.0
  Bi  Bi0  1  0.09  0.0  0.23  1.0
  Bi  Bi1  1  0.28  0.0  0.43  1.0
  Pd  Pd2  1  0.19  0.0  0.83  1.0

data_ZrBi2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   5.31
_cell_length_c   5.91
_cell_angle_alpha   105.85
_cell_angle_beta   90.0
_cell_angle_gamma   108.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBi2Pd
_chemical_formula_sum   'Zr1 Bi2 Pd1'
_cell_volume   96.37
_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  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.72  0.57  1.0
  Bi  Bi2  1  0.0  0.91  0.77  1.0
  Pd  Pd3  1  0.0  0.81  0.17  1.0

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