data_[Pr4Y2Ho6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3778]
_cell_length_b [3.9309]
_cell_length_c [7.9967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1628]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Y(HoS2)3]
_chemical_formula_sum '[Pr4 Y2 Ho6 S12]'
_cell_volume [529.6597]
_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
[
  Pr  Pr0  4  0.1675  0.0000  0.3352  1.0
  Y  Y1  2  0.0000  0.5000  0.0000  1.0
  Ho  Ho2  4  0.1687  0.0000  0.8332  1.0
  Ho  Ho3  2  0.0000  0.5000  0.5000  1.0
  S  S4  4  0.0050  0.0000  0.7503  1.0
  S  S5  4  0.1616  0.5000  0.5950  1.0
  S  S6  4  0.1665  0.5000  0.0693  1.0
]