data_[Ho12Si4Sn2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Si  1.9000  1.1000  0.5400
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7505]
_cell_length_b [4.0175]
_cell_length_c [8.2004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1639]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6Si2SnS3]
_chemical_formula_sum '[Ho12 Si4 Sn2 S6]'
_cell_volume [567.0187]
_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  0.0001  0.0000  0.7316  1
  Ho  Ho1  4  0.1695  0.5000  0.5796  1
  Ho  Ho2  4  0.1731  0.5000  0.0906  1
  Si  Si3  4  0.1656  0.0000  0.3318  1
  Sn  Sn4  2  0.0000  0.5000  0.0000  1
  S  S5  4  0.1666  0.0000  0.8309  1
  S  S6  2  0.0000  0.5000  0.5000  1
]