data_[Hf2Mn4Tl4S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3817]
_cell_length_b [3.7460]
_cell_length_c [7.7321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5019]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfMn2(TlS2)2]
_chemical_formula_sum '[Hf2 Mn4 Tl4 S8]'
_cell_volume [395.0305]
_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  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  4  0.1705  0.5000  0.9539  1.0
  Tl  Tl2  4  0.1453  0.0000  0.5673  1.0
  S  S3  4  0.0067  0.5000  0.7715  1.0
  S  S4  4  0.1883  0.0000  0.1555  1.0
]