data_GaPtW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   136.52
_cell_angle_beta   134.51
_cell_angle_gamma   64.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPtW2
_chemical_formula_sum   'Ga1 Pt1 W2'
_cell_volume   62.21
_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
  Pt  Pt1  1  0.0  0.0  0.26  1.0
  W  W2  1  0.87  0.0  0.12  1.0
  W  W3  1  0.0  0.95  0.14  1.0

data_GaPtW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   3.9
_cell_length_c   5.05
_cell_angle_alpha   112.74
_cell_angle_beta   111.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPtW2
_chemical_formula_sum   'Ga1 Pt1 W2'
_cell_volume   62.21
_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
  Pt  Pt1  1  0.74  0.74  0.74  1.0
  W  W2  1  0.75  0.88  0.75  1.0
  W  W3  1  0.86  0.81  0.81  1.0

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