data_[Dy12As6P2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  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 [17.5420]
_cell_length_b [4.0450]
_cell_length_c [8.0709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0785]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Dy6As3PS2]
_chemical_formula_sum '[Dy12 As6 P2 S4]'
_cell_volume [557.8371]
_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
[
  Dy  Dy0  4  0.0001  0.0000  0.2438  1.0
  Dy  Dy1  4  0.1642  0.5000  0.0818  1.0
  Dy  Dy2  4  0.1660  0.5000  0.5832  1.0
  As  As3  4  0.1679  0.0000  0.8324  1.0
  As  As4  2  0.0000  0.5000  0.5000  1.0
  P  P5  2  0.0000  0.5000  0.0000  1.0
  S  S6  4  0.1676  0.0000  0.3352  1.0
]