data_[Sr3Y12Pb3S24]
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
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.1447]
_cell_length_b [8.1447]
_cell_length_c [20.8387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SrY4PbS8]
_chemical_formula_sum '[Sr3 Y12 Pb3 S24]'
_cell_volume [1197.1466]
_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  0.0009  1
  Y  Y1  9  0.1690  0.8310  0.8327  1
  Y  Y2  3  0.0000  0.0000  0.6241  1
  Pb  Pb3  3  0.0000  0.0000  0.3754  1
  S  S4  9  0.0235  0.5118  0.7615  1
  S  S5  9  0.1721  0.3442  0.5756  1
  S  S6  3  0.0000  0.0000  0.2338  1
  S  S7  3  0.0000  0.0000  0.7564  1
]