data_[Pr4Nd2Er6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  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 [17.4916]
_cell_length_b [3.9228]
_cell_length_c [8.0896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3410]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Nd(ErS2)3]
_chemical_formula_sum '[Pr4 Nd2 Er6 S12]'
_cell_volume [535.3044]
_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  0.1667  0.0000  0.3333  1
  Nd  Nd1  2  0.0000  0.5000  0.0000  1
  Er  Er2  4  0.1670  0.0000  0.8334  1
  Er  Er3  2  0.0000  0.5000  0.5000  1
  S  S4  4  0.0052  0.0000  0.7388  1
  S  S5  4  0.1616  0.5000  0.5964  1
  S  S6  4  0.1709  0.5000  0.0697  1
]