data_GaNi2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.87
_cell_angle_alpha   100.63
_cell_angle_beta   100.63
_cell_angle_gamma   41.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaNi2Pb
_chemical_formula_sum   'Ga1 Ni2 Pb1'
_cell_volume   65.64
_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  Ga0  1  0.1  0.0  0.65  1.0
  Ni  Ni1  1  0.98  0.0  0.2  1.0
  Ni  Ni2  1  0.47  0.0  0.75  1.0
  Pb  Pb3  1  0.81  0.0  0.57  1.0

data_GaNi2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.56
_cell_length_c   4.87
_cell_angle_alpha   100.63
_cell_angle_beta   90.0
_cell_angle_gamma   110.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaNi2Pb
_chemical_formula_sum   'Ga1 Ni2 Pb1'
_cell_volume   65.64
_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  Ga0  1  0.0  0.9  0.35  1.0
  Ni  Ni1  1  0.0  0.02  0.8  1.0
  Ni  Ni2  1  0.0  0.53  0.25  1.0
  Pb  Pb3  1  0.0  0.19  0.43  1.0

Ga Ni Ni Pb
Ga Ni Ni Pb 0 3 - o o 0 1 - o o 0 2 o o o 1 3 o o o 2 3 o o o 