data_[La8Er6S16]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3682]
_cell_length_b [11.3788]
_cell_length_c [8.0094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.6666]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La4Er3S8]
_chemical_formula_sum '[La8 Er6 S16]'
_cell_volume [736.8597]
_cell_formula_units_Z [2]
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  0.2500  0.2500  0.5000  1.0
  La  La1  2  0.0000  0.0000  0.0000  1.0
  La  La2  2  0.0000  0.5000  0.5000  1.0
  Er  Er3  4  0.2500  0.2500  0.0000  1.0
  Er  Er4  2  0.0000  0.0000  0.5000  1.0
  S  S5  4  0.0000  0.2424  0.5000  1.0
  S  S6  4  0.0000  0.2542  0.0000  1.0
  S  S7  4  0.2444  0.0000  0.5060  1.0
  S  S8  4  0.2472  0.0000  0.9847  1.0
]