data_[Ho12As4P2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  As  2.1800  1.1500  0.6600
  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 [17.3432]
_cell_length_b [3.9849]
_cell_length_c [7.9452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0256]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6As2PS3]
_chemical_formula_sum '[Ho12 As4 P2 S6]'
_cell_volume [534.9642]
_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  0.0007  0.0000  0.7583  1.0
  Ho  Ho1  4  0.1635  0.5000  0.0796  1.0
  Ho  Ho2  4  0.1654  0.5000  0.5843  1.0
  As  As3  4  0.1667  0.0000  0.3333  1.0
  P  P4  2  0.0000  0.5000  0.0000  1.0
  S  S5  4  0.1674  0.0000  0.8335  1.0
  S  S6  2  0.0000  0.5000  0.5000  1.0
]