data_[Ho4Tl6Bi2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0401]
_cell_length_b [12.1910]
_cell_length_c [7.8570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3491]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2Tl3BiS6]
_chemical_formula_sum '[Ho4 Tl6 Bi2 S12]'
_cell_volume [643.6585]
_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
[
  Ho  Ho0  4  0.0000  0.3332  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1657  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Bi  Bi3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2385  0.1717  0.2008  1.0
  S  S5  4  0.2232  0.5000  0.2000  1.0
]