data_[Sr3Tb12Pb3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tb  1.1000  1.7500  0.9815
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.5814]
_cell_length_b [8.5814]
_cell_length_c [21.5498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SrTb4PbSe8]
_chemical_formula_sum '[Sr3 Tb12 Pb3 Se24]'
_cell_volume [1374.3363]
_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  0.6267  1.0
  Tb  Tb1  9  0.0047  0.5023  0.5005  1.0
  Tb  Tb2  3  0.0000  0.0000  0.3763  1.0
  Pb  Pb3  3  0.0000  0.0000  0.9951  1.0
  Se  Se4  9  0.0097  0.5048  0.7579  1.0
  Se  Se5  9  0.1809  0.3618  0.5733  1.0
  Se  Se6  3  0.0000  0.0000  0.2431  1.0
  Se  Se7  3  0.0000  0.0000  0.7639  1.0
]