data_[Na3Pr3Er12S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.0438]
_cell_length_b [8.0438]
_cell_length_c [20.1757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NaPr(ErS2)4]
_chemical_formula_sum '[Na3 Pr3 Er12 S24]'
_cell_volume [1130.5394]
_cell_formula_units_Z [3]
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
[
  Na  Na0  3  0.0000  0.0000  0.3725  1.0
  Pr  Pr1  3  0.0000  0.0000  0.0039  1.0
  Er  Er2  9  0.1727  0.3455  0.8319  1.0
  Er  Er3  3  0.0000  0.0000  0.6261  1.0
  S  S4  9  0.0235  0.5117  0.7580  1.0
  S  S5  9  0.1733  0.3467  0.5773  1.0
  S  S6  3  0.0000  0.0000  0.2378  1.0
  S  S7  3  0.0000  0.0000  0.7581  1.0
]