data_[Y12Er3Ag3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.0329]
_cell_length_b [8.0329]
_cell_length_c [19.5967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Y4ErAgS8]
_chemical_formula_sum '[Y12 Er3 Ag3 S24]'
_cell_volume [1095.1005]
_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
[
  Y  Y0  9  0.1724  0.3448  0.8319  1
  Y  Y1  3  0.0000  0.0000  0.6245  1
  Er  Er2  3  0.0000  0.0000  0.0045  1
  Ag  Ag3  3  0.0000  0.0000  0.3755  1
  S  S4  9  0.0217  0.5108  0.7517  1
  S  S5  9  0.1789  0.3578  0.5813  1
  S  S6  3  0.0000  0.0000  0.2426  1
  S  S7  3  0.0000  0.0000  0.7584  1
]