data_[Sr4Li4La8Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2763]
_cell_length_b [14.1553]
_cell_length_c [14.9148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SrLi(LaSe2)2]
_chemical_formula_sum '[Sr4 Li4 La8 Se16]'
_cell_volume [902.8172]
_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  0.1158  0.7500  1.0
  Li  Li1  4  0.0000  0.1516  0.2500  1.0
  La  La2  8  0.0000  0.3693  0.5588  1.0
  Se  Se3  8  0.0000  0.2728  0.1234  1.0
  Se  Se4  4  0.0000  0.0000  0.0000  1.0
  Se  Se5  4  0.0000  0.4484  0.7500  1.0
]