data_[Sr8Ho4In4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ho  1.2300  1.7500  1.0410
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2006]
_cell_length_b [18.5219]
_cell_length_c [13.1215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2HoInSe5]
_chemical_formula_sum '[Sr8 Ho4 In4 Se20]'
_cell_volume [1020.8947]
_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  0.1159  0.6799  1.0
  Sr  Sr1  4  0.0000  0.1323  0.3160  1.0
  Ho  Ho2  4  0.0000  0.2124  0.0212  1.0
  In  In3  4  0.0000  0.4495  0.4421  1.0
  Se  Se4  4  0.0000  0.0510  0.0617  1.0
  Se  Se5  4  0.0000  0.2878  0.6672  1.0
  Se  Se6  4  0.0000  0.3115  0.3687  1.0
  Se  Se7  4  0.0000  0.3614  0.0018  1.0
  Se  Se8  4  0.0000  0.4944  0.7653  1.0
]