data_GaTe2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   4.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTe2Pt
_chemical_formula_sum   'Ga1 Te2 Pt1'
_cell_volume   100.73
_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
  Te  Te2  1  0.95  0.78  0.02  1.0
  Te  Te3  1  0.95  0.22  0.02  1.0
  Pt  Pt1  1  0.95  0.0  0.0  1.0

data_GaTe2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   110.04
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTe2Pt
_chemical_formula_sum   'Ga1 Te2 Pt1'
_cell_volume   100.73
_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
  Te  Te1  1  0.02  0.95  0.22  1.0
  Te  Te2  1  0.02  0.95  0.78  1.0
  Pt  Pt3  1  0.0  0.95  0.0  1.0

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