data_Te2PtCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   3.54
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2PtCl
_chemical_formula_sum   'Te2 Pt1 Cl1'
_cell_volume   96.2
_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
  Te  Te2  1  0.16  0.0  0.61  1.0
  Te  Te3  1  0.16  0.0  0.34  1.0
  Pt  Pt1  1  0.0  0.0  0.98  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Te2PtCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   3.54
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2PtCl
_chemical_formula_sum   'Te2 Pt1 Cl1'
_cell_volume   96.2
_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
  Te  Te0  1  0.16  0.0  0.34  1.0
  Te  Te1  1  0.16  0.0  0.61  1.0
  Pt  Pt2  1  0.0  0.0  0.98  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Te Te Pt Cl
Te Te Pt Cl 0 1 o o o 2 3 o o + 