data_[Sr8In4Sb4Se20]
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
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2372]
_cell_length_b [18.7789]
_cell_length_c [13.0006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2InSbSe5]
_chemical_formula_sum '[Sr8 In4 Sb4 Se20]'
_cell_volume [1034.4494]
_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  0.1114  0.6809  1.0
  Sr  Sr1  4  0.0000  0.1278  0.3098  1.0
  In  In2  4  0.0000  0.4397  0.4453  1.0
  Sb  Sb3  4  0.0000  0.2178  0.0223  1.0
  Se  Se4  4  0.0000  0.0464  0.0640  1.0
  Se  Se5  4  0.0000  0.2794  0.6707  1.0
  Se  Se6  4  0.0000  0.3091  0.3614  1.0
  Se  Se7  4  0.0000  0.3591  0.9989  1.0
  Se  Se8  4  0.0000  0.4957  0.7708  1.0
]