data_[Pr1Y2Ho1S4]
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 [P2/m]
_cell_length_a [6.8634]
_cell_length_b [3.9149]
_cell_length_c [6.9067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9136]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [PrY2HoS4]
_chemical_formula_sum '[Pr1 Y2 Ho1 S4]'
_cell_volume [175.5592]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1
  Y  Y1  1  0.0000  0.0000  0.0000  1
  Y  Y2  1  0.0000  0.5000  0.5000  1
  Ho  Ho3  1  0.5000  0.0000  0.5000  1
  S  S4  2  0.2397  0.0000  0.7371  1
  S  S5  2  0.2470  0.5000  0.2582  1
]