data_Tl2RePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   148.84
_cell_angle_beta   123.16
_cell_angle_gamma   66.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2RePt
_chemical_formula_sum   'Tl2 Re1 Pt1'
_cell_volume   78.38
_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  0.0  0.7  0.34  1.0
  Tl  Tl3  1  0.52  0.0  0.41  1.0
  Re  Re1  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.0  0.0  0.76  1.0

data_Tl2RePt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   5.4
_cell_length_c   5.68
_cell_angle_alpha   118.42
_cell_angle_beta   105.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2RePt
_chemical_formula_sum   'Tl2 Re1 Pt1'
_cell_volume   78.38
_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  0.41  0.89  1.0
  Tl  Tl1  1  0.3  0.64  0.64  1.0
  Re  Re2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.76  0.76  1.0

Tl Tl Re Pt