data_[Sr4Sn2Pb6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2116]
_cell_length_b [4.4043]
_cell_length_c [8.8296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2624]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Sn(PbSe2)3]
_chemical_formula_sum '[Sr4 Sn2 Pb6 Se12]'
_cell_volume [727.1740]
_cell_formula_units_Z [2]
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  4  0.1653  0.0000  0.3308  1.0
  Sn  Sn1  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb2  4  0.1671  0.0000  0.8332  1.0
  Pb  Pb3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  4  0.0007  0.0000  0.7560  1.0
  Se  Se5  4  0.1638  0.5000  0.0813  1.0
  Se  Se6  4  0.1667  0.5000  0.5826  1.0
]