data_[Li4Pr8Mn4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  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 [3.9992]
_cell_length_b [17.0159]
_cell_length_c [10.8092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiPr2MnS5]
_chemical_formula_sum '[Li4 Pr8 Mn4 S20]'
_cell_volume [735.5680]
_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
[
  Li  Li0  4  0.0000  0.2207  0.0013  1.0
  Pr  Pr1  4  0.0000  0.1118  0.3066  1.0
  Pr  Pr2  4  0.0000  0.1247  0.6869  1.0
  Mn  Mn3  4  0.0000  0.4062  0.4838  1.0
  S  S4  4  0.0000  0.0346  0.0567  1.0
  S  S5  4  0.0000  0.2977  0.3434  1.0
  S  S6  4  0.0000  0.3134  0.6478  1.0
  S  S7  4  0.0000  0.3580  0.9978  1.0
  S  S8  4  0.0000  0.4812  0.2997  1.0
]