data_GaNiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   135.52
_cell_angle_beta   120.32
_cell_angle_gamma   77.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaNiSn2
_chemical_formula_sum   'Ga1 Ni1 Sn2'
_cell_volume   80.87
_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  0.0  0.03  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.57  0.24  1.0
  Sn  Sn3  1  0.95  0.0  0.79  1.0

data_GaNiSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   5.14
_cell_length_c   5.16
_cell_angle_alpha   119.84
_cell_angle_beta   112.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaNiSn2
_chemical_formula_sum   'Ga1 Ni1 Sn2'
_cell_volume   80.87
_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  0.97  0.97  0.97  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.16  0.21  0.16  1.0
  Sn  Sn3  1  0.76  0.33  0.33  1.0

Ga Ni Sn Sn
Ga Ni Sn Sn 0 1 o o o 0 2 o o o 0 3 - o - 1 2 o o o 1 3 - o - 2 3 - + o 2 3 - o - 