data_[Er12Sb4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.8355]
_cell_length_b [6.4677]
_cell_length_c [9.9932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2091]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Er3SbS]
_chemical_formula_sum '[Er12 Sb4 S4]'
_cell_volume [524.8523]
_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
[
  Er  Er0  4  0.0436  0.5986  0.8353  1
  Er  Er1  4  0.1974  0.0715  0.0342  1
  Er  Er2  4  0.3959  0.6800  0.3199  1
  Sb  Sb3  4  0.3518  0.1940  0.3496  1
  S  S4  4  0.0887  0.7312  0.1034  1
]