data_[Sr8In4Pb4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2449]
_cell_length_b [19.1932]
_cell_length_c [12.8363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2InPbSe5]
_chemical_formula_sum '[Sr8 In4 Pb4 Se20]'
_cell_volume [1045.8006]
_cell_formula_units_Z [4]
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  0.0000  0.1075  0.6737  1.0
  Sr  Sr1  4  0.0000  0.1237  0.3099  1.0
  In  In2  4  0.0000  0.4390  0.4434  1.0
  Pb  Pb3  4  0.0000  0.2228  0.0252  1.0
  Se  Se4  4  0.0000  0.0477  0.0628  1.0
  Se  Se5  4  0.0000  0.2749  0.6860  1.0
  Se  Se6  4  0.0000  0.3091  0.3597  1.0
  Se  Se7  4  0.0000  0.3670  0.9960  1.0
  Se  Se8  4  0.0000  0.4978  0.7673  1.0
]