data_[Sm3Er12Pb3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.0748]
_cell_length_b [8.0748]
_cell_length_c [20.1684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SmEr4PbS8]
_chemical_formula_sum '[Sm3 Er12 Pb3 S24]'
_cell_volume [1138.8500]
_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
[
  Sm  Sm0  3  0.0000  0.0000  0.0022  1
  Er  Er1  9  0.1690  0.3379  0.8326  1
  Er  Er2  3  0.0000  0.0000  0.6258  1
  Pb  Pb3  3  0.0000  0.0000  0.3732  1
  S  S4  9  0.0315  0.5158  0.7576  1
  S  S5  9  0.1745  0.3491  0.5787  1
  S  S6  3  0.0000  0.0000  0.2343  1
  S  S7  3  0.0000  0.0000  0.7578  1
]