data_[Li2As2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.2055]
_cell_length_b [3.8005]
_cell_length_c [3.9550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9467]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiAsSe2]
_chemical_formula_sum '[Li2 As2 Se4]'
_cell_volume [198.0239]
_cell_formula_units_Z [2]
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
[
  Li  Li0  2  0.2834  0.5000  0.8677  1.0
  As  As1  2  0.4513  0.0000  0.4252  1.0
  Se  Se2  2  0.2720  0.0000  0.3598  1.0
  Se  Se3  2  0.4932  0.5000  0.8473  1.0
]