data_[Pr1Nd1Er2S4]
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 [P2/m]
_cell_length_a [6.8024]
_cell_length_b [3.9063]
_cell_length_c [7.0745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5872]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [PrNd(ErS2)2]
_chemical_formula_sum '[Pr1 Nd1 Er2 S4]'
_cell_volume [178.1765]
_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  1.0
  Nd  Nd1  1  0.0000  0.0000  0.0000  1.0
  Er  Er2  1  0.0000  0.5000  0.5000  1.0
  Er  Er3  1  0.5000  0.0000  0.5000  1.0
  S  S4  2  0.2412  0.0000  0.7277  1.0
  S  S5  2  0.2562  0.5000  0.2713  1.0
]