data_GaBiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaBiPd2
_chemical_formula_sum   'Ga1 Bi1 Pd2'
_cell_volume   74.09
_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
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.59  1.0
  Pd  Pd2  1  0.24  0.0  0.42  1.0
  Pd  Pd3  1  0.24  0.0  0.76  1.0

data_GaBiPd2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   GaBiPd2
_chemical_formula_sum   'Ga1 Bi1 Pd2'
_cell_volume   74.12
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.0  0.59  1.0
  Pd  Pd2  1  0.24  0.0  0.42  1.0
  Pd  Pd3  1  0.24  0.0  0.76  1.0

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