data_[La4Si1Te1I2]
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
  Te  2.1000  1.4000  1.2933
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.9653]
_cell_length_b [4.5004]
_cell_length_c [8.0461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6894]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La4SiTeI2]
_chemical_formula_sum '[La4 Si1 Te1 I2]'
_cell_volume [273.2232]
_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
[
  La  La0  2  0.2667  0.0000  0.7157  1.0
  La  La1  2  0.2884  0.5000  0.2955  1.0
  Si  Si2  1  0.5000  0.0000  0.5000  1.0
  Te  Te3  1  0.0000  0.5000  0.5000  1.0
  I  I4  1  0.0000  0.0000  0.0000  1.0
  I  I5  1  0.5000  0.5000  0.0000  1.0
]