data_GaSi2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.13
_cell_length_c   3.62
_cell_angle_alpha   69.76
_cell_angle_beta   69.05
_cell_angle_gamma   41.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSi2Ni
_chemical_formula_sum   'Ga1 Si2 Ni1'
_cell_volume   58.36
_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  0.53  0.58  0.46  1.0
  Si  Si2  1  0.27  0.58  0.23  1.0
  Si  Si3  1  0.27  0.0  0.23  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0

data_GaSi2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   3.62
_cell_length_c   5.13
_cell_angle_alpha   110.24
_cell_angle_beta   110.24
_cell_angle_gamma   91.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSi2Ni
_chemical_formula_sum   'Ga1 Si2 Ni1'
_cell_volume   58.36
_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  0.42  0.42  0.88  1.0
  Si  Si1  1  0.5  0.0  0.73  1.0
  Si  Si2  1  0.92  0.42  0.15  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

Ga Si Si Ni