data_[La4As2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  As  2.1800  1.1500  0.6600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [14.1385]
_cell_length_b [7.0812]
_cell_length_c [17.9278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [La2AsCl3]
_chemical_formula_sum '[La4 As2 Cl6]'
_cell_volume [1794.8790]
_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  0.1377  0.9819  0.0303  1
  As  As1  2  0.0000  0.2313  0.0000  1
  Cl  Cl2  4  0.2371  0.7803  0.9183  1
  Cl  Cl3  2  0.0000  0.7147  0.0000  1
]