data_[Pr1Nd1Sc2S4]
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
  Sc  1.3600  1.6000  0.8850
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6396]
_cell_length_b [3.8171]
_cell_length_c [6.9391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6583]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [PrNd(ScS2)2]
_chemical_formula_sum '[Pr1 Nd1 Sc2 S4]'
_cell_volume [166.6208]
_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  0.0000  0.0000  0.0000  1.0
  Nd  Nd1  1  0.5000  0.5000  0.0000  1.0
  Sc  Sc2  1  0.0000  0.5000  0.5000  1.0
  Sc  Sc3  1  0.5000  0.0000  0.5000  1.0
  S  S4  2  0.2401  0.0000  0.7178  1.0
  S  S5  2  0.2626  0.5000  0.2831  1.0
]