data_[Sr3Y12Er3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.1669]
_cell_length_b [8.1669]
_cell_length_c [19.9408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SrY4ErS8]
_chemical_formula_sum '[Sr3 Y12 Er3 S24]'
_cell_volume [1151.8442]
_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
[
  Sr  Sr0  3  0.0000  0.0000  0.3753  1
  Y  Y1  9  0.1690  0.3381  0.8328  1
  Y  Y2  3  0.0000  0.0000  0.6248  1
  Er  Er3  3  0.0000  0.0000  0.0020  1
  S  S4  9  0.0390  0.5195  0.7537  1
  S  S5  9  0.1779  0.3558  0.5816  1
  S  S6  3  0.0000  0.0000  0.2361  1
  S  S7  3  0.0000  0.0000  0.7575  1
]