data_[La6Si2Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2816]
_cell_length_b [4.1626]
_cell_length_c [8.5152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4491]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La3SiCl]
_chemical_formula_sum '[La6 Si2 Cl2]'
_cell_volume [290.3623]
_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  2  0.1039  0.7500  0.2588  1.0
  La  La1  2  0.3139  0.7500  0.9613  1.0
  La  La2  2  0.3841  0.2500  0.6179  1.0
  Si  Si3  2  0.3730  0.2500  0.2370  1.0
  Cl  Cl4  2  0.1229  0.7500  0.6233  1.0
]