data_[Ho12Sb2P4S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4259]
_cell_length_b [4.0102]
_cell_length_c [8.0441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8255]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6SbP2S3]
_chemical_formula_sum '[Ho12 Sb2 P4 S6]'
_cell_volume [548.1088]
_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  0.0040  0.0000  0.2710  1.0
  Ho  Ho1  4  0.1700  0.5000  0.5786  1.0
  Ho  Ho2  4  0.1742  0.5000  0.0988  1.0
  Sb  Sb3  2  0.0000  0.5000  0.0000  1.0
  P  P4  4  0.1677  0.0000  0.3358  1.0
  S  S5  4  0.1644  0.0000  0.8327  1.0
  S  S6  2  0.0000  0.5000  0.5000  1.0
]