data_[La16Sn4Te4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.8993]
_cell_length_b [9.0079]
_cell_length_c [12.6527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [La4SnTeSe2]
_chemical_formula_sum '[La16 Sn4 Te4 Se8]'
_cell_volume [1014.2944]
_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
[
  La  La0  8  0.0000  0.0135  0.2528  1.0
  La  La1  8  0.2436  0.2500  0.4938  1.0
  Sn  Sn2  4  0.0000  0.0000  0.0000  1.0
  Te  Te3  4  0.2500  0.2500  0.7500  1.0
  Se  Se4  4  0.0000  0.0000  0.5000  1.0
  Se  Se5  4  0.2500  0.2500  0.2500  1.0
]