data_[Pr1Er1Sc2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  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 [6.6598]
_cell_length_b [3.7940]
_cell_length_c [6.7164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8538]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [PrEr(ScS2)2]
_chemical_formula_sum '[Pr1 Er1 Sc2 S4]'
_cell_volume [160.5992]
_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
  Er  Er1  1  0.0000  0.0000  0.0000  1
  Sc  Sc2  1  0.0000  0.5000  0.5000  1
  Sc  Sc3  1  0.5000  0.0000  0.5000  1
  S  S4  2  0.2311  0.0000  0.7235  1
  S  S5  2  0.2466  0.5000  0.2690  1
]