data_[Sr8Sm4Ga4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sm  1.1700  1.8500  1.2290
  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 [4.1484]
_cell_length_b [18.9666]
_cell_length_c [12.8803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2SmGaSe5]
_chemical_formula_sum '[Sr8 Sm4 Ga4 Se20]'
_cell_volume [1013.4374]
_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  0.1173  0.6826  1
  Sr  Sr1  4  0.0000  0.1218  0.3250  1
  Sm  Sm2  4  0.0000  0.2073  0.0259  1
  Ga  Ga3  4  0.0000  0.4421  0.4312  1
  Se  Se4  4  0.0000  0.0438  0.0403  1
  Se  Se5  4  0.0000  0.2944  0.6800  1
  Se  Se6  4  0.0000  0.3183  0.3645  1
  Se  Se7  4  0.0000  0.3561  0.0062  1
  Se  Se8  4  0.0000  0.4984  0.7684  1
]