data_[Ho12Ge2As4S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ge  2.0100  1.2500  0.7700
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4154]
_cell_length_b [4.0271]
_cell_length_c [8.0048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7476]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6GeAs2S3]
_chemical_formula_sum '[Ho12 Ge2 As4 S6]'
_cell_volume [547.5633]
_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  0.0005  0.0000  0.7531  1.0
  Ho  Ho1  4  0.1652  0.5000  0.0812  1.0
  Ho  Ho2  4  0.1665  0.5000  0.5837  1.0
  Ge  Ge3  2  0.0000  0.5000  0.0000  1.0
  As  As4  4  0.1671  0.0000  0.3342  1.0
  S  S5  4  0.1678  0.0000  0.8325  1.0
  S  S6  2  0.0000  0.5000  0.5000  1.0
]