data_[La12Si2As4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Si  1.9000  1.1000  0.5400
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9866]
_cell_length_b [4.3701]
_cell_length_c [8.7249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1865]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6SiAs2Se3]
_chemical_formula_sum '[La12 Si2 As4 Se6]'
_cell_volume [704.8406]
_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
[
  La  La0  4  0.0014  0.0000  0.2413  1.0
  La  La1  4  0.1631  0.5000  0.0862  1.0
  La  La2  4  0.1683  0.5000  0.5784  1.0
  Si  Si3  2  0.0000  0.5000  0.0000  1.0
  As  As4  4  0.1674  0.0000  0.3348  1.0
  Se  Se5  4  0.1675  0.0000  0.8324  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]