data_[La3Ho6Er3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.9889]
_cell_length_b [6.9889]
_cell_length_c [18.5135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LaHo2ErS6]
_chemical_formula_sum '[La3 Ho6 Er3 S18]'
_cell_volume [783.1245]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.8071  1.0
  Ho  Ho1  3  0.0000  0.0000  0.0135  1.0
  Ho  Ho2  3  0.0000  0.0000  0.5187  1.0
  Er  Er3  3  0.0000  0.0000  0.3165  1.0
  S  S4  9  0.0288  0.3600  0.5847  1.0
  S  S5  9  0.0583  0.6964  0.0839  1.0
]