data_[Pr4Dy6Er2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Dy  1.2200  1.7500  1.1310
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2862]
_cell_length_b [3.9439]
_cell_length_c [7.9964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5789]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Dy3ErS6]
_chemical_formula_sum '[Pr4 Dy6 Er2 S12]'
_cell_volume [529.9209]
_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  0.1677  0.0000  0.3359  1
  Dy  Dy1  4  0.1697  0.0000  0.8335  1
  Dy  Dy2  2  0.0000  0.5000  0.5000  1
  Er  Er3  2  0.0000  0.5000  0.0000  1
  S  S4  4  0.0049  0.0000  0.7559  1
  S  S5  4  0.1620  0.5000  0.5940  1
  S  S6  4  0.1642  0.5000  0.0700  1
]