data_[La12Sb6As4I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.6839]
_cell_length_b [4.5405]
_cell_length_c [9.0930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5893]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Sb3As2I]
_chemical_formula_sum '[La12 Sb6 As4 I2]'
_cell_volume [793.1492]
_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  0.0078  0.0000  0.2684  1.0
  La  La1  4  0.1705  0.5000  0.5755  1.0
  La  La2  4  0.1746  0.5000  0.1016  1.0
  Sb  Sb3  4  0.1607  0.0000  0.8347  1.0
  Sb  Sb4  2  0.0000  0.5000  0.5000  1.0
  As  As5  4  0.1680  0.0000  0.3334  1.0
  I  I6  2  0.0000  0.5000  0.0000  1.0
]