data_[Li2Sn1As1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8482]
_cell_length_b [3.9109]
_cell_length_c [6.9347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2956]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2SnAsSe4]
_chemical_formula_sum '[Li2 Sn1 As1 Se4]'
_cell_volume [175.2950]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  Li  Li1  1  0.5000  0.0000  0.5000  1.0
  Sn  Sn2  1  0.5000  0.5000  0.0000  1.0
  As  As3  1  0.0000  0.0000  0.0000  1.0
  Se  Se4  2  0.2324  0.0000  0.7444  1.0
  Se  Se5  2  0.2353  0.5000  0.2456  1.0
]