data_GaNi2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   130.31
_cell_angle_beta   116.24
_cell_angle_gamma   84.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaNi2Bi
_chemical_formula_sum   'Ga1 Ni2 Bi1'
_cell_volume   65.48
_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
  Ni  Ni2  1  0.0  0.45  0.02  1.0
  Ni  Ni3  1  0.95  0.0  0.41  1.0
  Bi  Bi0  1  0.0  0.0  0.42  1.0

data_GaNi2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   63.76
_cell_angle_beta   65.15
_cell_angle_gamma   65.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaNi2Bi
_chemical_formula_sum   'Ga1 Ni2 Bi1'
_cell_volume   65.48
_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  0.0  1.0
  Ni  Ni1  1  0.02  -0.0  0.44  1.0
  Ni  Ni2  1  0.46  0.95  0.59  1.0
  Bi  Bi3  1  0.42  -0.0  0.58  1.0

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