data_[La8Er4Mn4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [3.9758]
_cell_length_b [16.6520]
_cell_length_c [12.0884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2ErMnS5]
_chemical_formula_sum '[La8 Er4 Mn4 S20]'
_cell_volume [800.3200]
_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  0.1181  0.6916  1.0
  La  La1  4  0.0000  0.1244  0.3369  1.0
  Er  Er2  4  0.0000  0.1884  0.0221  1.0
  Mn  Mn3  4  0.0000  0.4481  0.4318  1.0
  S  S4  4  0.0000  0.0247  0.0272  1.0
  S  S5  4  0.0000  0.3001  0.6767  1.0
  S  S6  4  0.0000  0.3114  0.3642  1.0
  S  S7  4  0.0000  0.3494  0.0142  1.0
  S  S8  4  0.0000  0.4944  0.7593  1.0
]