data_[La8H2Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [17.5983]
_cell_length_b [3.8724]
_cell_length_c [8.4374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4165]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La4HCl5]
_chemical_formula_sum '[La8 H2 Cl10]'
_cell_volume [556.8808]
_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  0.0021  0.0000  0.7761  1.0
  La  La1  4  0.1486  0.5000  0.0862  1.0
  H  H2  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl3  4  0.1653  0.0000  0.3474  1.0
  Cl  Cl4  4  0.1749  0.0000  0.8385  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]