data_[Li2Cu2Sn2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8885]
_cell_length_b [3.9927]
_cell_length_c [9.4009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1178]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiCuSnSe3]
_chemical_formula_sum '[Li2 Cu2 Sn2 Se6]'
_cell_volume [287.1529]
_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  0.1538  0.2500  0.1307  1.0
  Cu  Cu1  2  0.0735  0.2500  0.5656  1.0
  Sn  Sn2  2  0.3287  0.7500  0.8429  1.0
  Se  Se3  2  0.0757  0.2500  0.8386  1.0
  Se  Se4  2  0.2474  0.7500  0.5461  1.0
  Se  Se5  2  0.4091  0.7500  0.1457  1.0
]