data_[Pr8Er4Mn4S20]
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
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9387]
_cell_length_b [16.6046]
_cell_length_c [12.0366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2ErMnS5]
_chemical_formula_sum '[Pr8 Er4 Mn4 S20]'
_cell_volume [787.2059]
_cell_formula_units_Z [4]
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  0.0000  0.1183  0.6914  1.0
  Pr  Pr1  4  0.0000  0.1230  0.3405  1.0
  Er  Er2  4  0.0000  0.1861  0.0237  1.0
  Mn  Mn3  4  0.0000  0.4488  0.4290  1.0
  S  S4  4  0.0000  0.0211  0.0245  1.0
  S  S5  4  0.0000  0.3003  0.6801  1.0
  S  S6  4  0.0000  0.3111  0.3631  1.0
  S  S7  4  0.0000  0.3475  0.0156  1.0
  S  S8  4  0.0000  0.4937  0.7560  1.0
]