data_[Hf6Mn2Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.4283]
_cell_length_b [3.3350]
_cell_length_c [8.4503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5059]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Hf3MnTl]
_chemical_formula_sum '[Hf6 Mn2 Tl2]'
_cell_volume [205.1329]
_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
[
  Hf  Hf0  2  0.1127  0.2500  0.1479  1.0
  Hf  Hf1  2  0.1751  0.7500  0.5072  1.0
  Hf  Hf2  2  0.3188  0.7500  0.9159  1.0
  Mn  Mn3  2  0.1109  0.2500  0.7360  1.0
  Tl  Tl4  2  0.4722  0.7500  0.2996  1.0
]