data_[La8Pr4Mn4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [4.0331]
_cell_length_b [16.9890]
_cell_length_c [12.3281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2PrMnS5]
_chemical_formula_sum '[La8 Pr4 Mn4 S20]'
_cell_volume [844.6912]
_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
[
  La  La0  4  0.0000  0.1173  0.6914  1.0
  La  La1  4  0.0000  0.1250  0.3458  1.0
  Pr  Pr2  4  0.0000  0.1808  0.0286  1.0
  Mn  Mn3  4  0.0000  0.4537  0.4235  1.0
  S  S4  4  0.0000  0.0111  0.0117  1.0
  S  S5  4  0.0000  0.2990  0.6935  1.0
  S  S6  4  0.0000  0.3195  0.3588  1.0
  S  S7  4  0.0000  0.3468  0.0180  1.0
  S  S8  4  0.0000  0.4911  0.7527  1.0
]