data_[La2Tl4Re2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.6316]
_cell_length_b [4.6316]
_cell_length_c [9.3160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [LaTl2Re]
_chemical_formula_sum '[La2 Tl4 Re2]'
_cell_volume [199.8455]
_cell_formula_units_Z [2]
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
[
  La  La0  2  0.0000  0.0000  0.5000  1
  Tl  Tl1  2  0.0000  0.0000  0.0000  1
  Tl  Tl2  2  0.0000  0.5000  0.7500  1
  Re  Re3  2  0.0000  0.5000  0.2500  1
]