data_Tl2TePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   7.08
_cell_angle_alpha   108.29
_cell_angle_beta   108.29
_cell_angle_gamma   52.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2TePt
_chemical_formula_sum   'Tl2 Te1 Pt1'
_cell_volume   119.34
_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
  Tl  Tl2  1  0.14  0.0  0.28  1.0
  Tl  Tl3  1  0.01  0.0  0.05  1.0
  Te  Te1  1  0.19  0.0  0.2  1.0
  Pt  Pt0  1  0.83  0.0  0.04  1.0

data_Tl2TePt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.76
_cell_length_c   7.08
_cell_angle_alpha   108.29
_cell_angle_beta   90.0
_cell_angle_gamma   116.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2TePt
_chemical_formula_sum   'Tl2 Te1 Pt1'
_cell_volume   119.34
_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
  Tl  Tl0  1  0.0  0.86  0.72  1.0
  Tl  Tl1  1  0.0  0.99  0.95  1.0
  Te  Te2  1  0.0  0.81  0.8  1.0
  Pt  Pt3  1  0.0  0.17  0.96  1.0

Tl Tl Te Pt
Tl Tl Te Pt 0 2 o o o 1 3 - o o 