data_[Li4Se4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.0722]
_cell_length_b [5.1042]
_cell_length_c [10.4921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8265]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiSeCl]
_chemical_formula_sum '[Li4 Se4 Cl4]'
_cell_volume [271.3090]
_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
[
  Li  Li0  4  0.2392  0.0000  0.3940  1.0
  Se  Se1  4  0.2264  0.0000  0.0368  1.0
  Cl  Cl2  4  0.2371  0.5000  0.3711  1.0
]