data_GaPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67
_cell_length_b   6.67
_cell_length_c   3.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPt2
_chemical_formula_sum   'Ga3 Pt6'
_cell_volume   142.08
_cell_formula_units_Z   3
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
  Ga  Ga1  1  0.0  0.85  0.84  1.0
  Ga  Ga2  1  0.34  0.93  0.84  1.0
  Pt  Pt3  1  0.46  0.25  0.84  1.0
  Pt  Pt4  1  0.33  0.3  0.0  1.0
  Pt  Pt5  1  0.12  0.53  0.84  1.0
  Pt  Pt6  1  0.99  0.48  0.0  1.0
  Pt  Pt7  1  0.76  0.0  0.84  1.0
  Pt  Pt8  1  0.01  0.0  0.0  1.0

data_GaPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   6.67
_cell_length_c   6.67
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPt2
_chemical_formula_sum   'Ga3 Pt6'
_cell_volume   142.08
_cell_formula_units_Z   3
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
  Ga  Ga1  1  0.84  0.0  0.85  1.0
  Ga  Ga2  1  0.84  0.34  0.93  1.0
  Pt  Pt3  1  -0.0  0.99  0.48  1.0
  Pt  Pt4  1  -0.0  0.33  0.3  1.0
  Pt  Pt5  1  0.0  0.01  0.0  1.0
  Pt  Pt6  1  0.84  0.12  0.53  1.0
  Pt  Pt7  1  0.84  0.46  0.25  1.0
  Pt  Pt8  1  0.84  0.76  0.0  1.0

Ga Ga Ga Pt Pt Pt Pt Pt Pt
Ga Ga Ga Pt Pt Pt Pt Pt Pt 0 8 o o o 0 1 o - - 0 7 - o - 1 8 o + + 1 2 o o o 2 5 o o o 2 3 o + o 3 4 o o + 5 6 - o + 7 8 + o + 