data_[Sr8La4Ga4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  La  1.1000  1.9500  1.1720
  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 [4.1976]
_cell_length_b [19.2992]
_cell_length_c [12.8553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2LaGaSe5]
_chemical_formula_sum '[Sr8 La4 Ga4 Se20]'
_cell_volume [1041.4215]
_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  0.1143  0.6822  1
  Sr  Sr1  4  0.0000  0.1183  0.3280  1
  La  La2  4  0.0000  0.2063  0.0265  1
  Ga  Ga3  4  0.0000  0.4429  0.4291  1
  Se  Se4  4  0.0000  0.0416  0.0373  1
  Se  Se5  4  0.0000  0.2967  0.6861  1
  Se  Se6  4  0.0000  0.3221  0.3600  1
  Se  Se7  4  0.0000  0.3571  0.0079  1
  Se  Se8  4  0.0000  0.4976  0.7668  1
]