data_TlZn2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   2.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZn2Re
_chemical_formula_sum   'Tl1 Zn2 Re1'
_cell_volume   67.67
_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  0.85  0.0  0.0  1.0
  Zn  Zn2  1  0.42  0.95  0.45  1.0
  Zn  Zn3  1  0.42  0.05  0.45  1.0
  Re  Re0  1  0.0  0.0  0.0  1.0

data_TlZn2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   110.36
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZn2Re
_chemical_formula_sum   'Tl1 Zn2 Re1'
_cell_volume   67.67
_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  0.85  0.0  1.0
  Zn  Zn1  1  0.45  0.42  0.05  1.0
  Zn  Zn2  1  0.45  0.42  0.95  1.0
  Re  Re3  1  0.0  0.0  0.0  1.0

Tl Zn Zn Re