data_[La12Si4H2Cl6]
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
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3513]
_cell_length_b [12.6205]
_cell_length_c [7.2929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7836]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Si2HCl3]
_chemical_formula_sum '[La12 Si4 H2 Cl6]'
_cell_volume [636.6798]
_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  8  0.2427  0.1654  0.2335  1.0
  La  La1  4  0.2497  0.0000  0.7561  1.0
  Si  Si2  4  0.0000  0.3350  0.0000  1.0
  H  H3  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl4  4  0.0000  0.1762  0.5000  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]