data_TePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   7.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePt
_chemical_formula_sum   'Te2 Pt2'
_cell_volume   104.86
_cell_formula_units_Z   2
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
  Te  Te2  1  0.08  0.2  0.1  1.0
  Te  Te3  1  0.0  0.4  0.6  1.0
  Pt  Pt0  1  0.08  0.2  0.52  1.0
  Pt  Pt1  1  0.0  0.4  0.02  1.0

data_TePt
_symmetry_space_group_name_H-M   P2_1
_cell_length_a   4.16
_cell_length_b   7.0
_cell_length_c   4.16
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   4
_chemical_formula_structural   TePt
_chemical_formula_sum   'Te2 Pt2'
_cell_volume   104.86
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, y+1/2, -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
  Te  Te0  2  0.04  0.9  0.9  1.0
  Pt  Pt1  2  0.04  0.48  0.9  1.0

Te Te Pt Pt