data_GaNiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   4.17
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   100.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaNiW2
_chemical_formula_sum   'Ga1 Ni1 W2'
_cell_volume   58.23
_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  0.09  0.58  1.0
  Ni  Ni1  1  0.41  0.0  0.81  1.0
  W  W2  1  0.76  0.09  0.02  1.0
  W  W3  1  0.81  0.0  0.34  1.0

data_GaNiW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.17
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   100.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaNiW2
_chemical_formula_sum   'Ga1 Ni1 W2'
_cell_volume   58.23
_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  0.09  0.58  1.0
  Ni  Ni1  1  0.41  0.0  0.81  1.0
  W  W2  1  0.76  0.09  0.02  1.0
  W  W3  1  0.81  0.0  0.34  1.0

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