data_TlZn2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   136.95
_cell_angle_beta   136.95
_cell_angle_gamma   62.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZn2Re
_chemical_formula_sum   'Tl1 Zn2 Re1'
_cell_volume   66.4
_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  Tl1  1  0.92  0.0  0.24  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.92  0.24  1.0
  Re  Re0  1  0.0  0.0  0.48  1.0

data_TlZn2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   5.24
_cell_angle_alpha   111.52
_cell_angle_beta   111.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZn2Re
_chemical_formula_sum   'Tl1 Zn2 Re1'
_cell_volume   66.4
_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  0.76  0.0  0.68  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.68  0.92  0.68  1.0
  Re  Re3  1  0.52  0.0  0.52  1.0

Tl Zn Zn Re