data_[Sr8In4Ga4Se20]
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
  Ga  1.8100  1.3000  0.7600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0598]
_cell_length_b [19.3838]
_cell_length_c [12.5382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2InGaSe5]
_chemical_formula_sum '[Sr8 In4 Ga4 Se20]'
_cell_volume [986.6881]
_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  0.1128  0.6760  1.0
  Sr  Sr1  4  0.0000  0.1178  0.3014  1.0
  In  In2  4  0.0000  0.2240  0.0251  1.0
  Ga  Ga3  4  0.0000  0.4379  0.4446  1.0
  Se  Se4  4  0.0000  0.0428  0.0545  1.0
  Se  Se5  4  0.0000  0.2816  0.6748  1.0
  Se  Se6  4  0.0000  0.3169  0.3803  1.0
  Se  Se7  4  0.0000  0.3583  0.9921  1.0
  Se  Se8  4  0.0000  0.4957  0.2752  1.0
]