data_[La8H4Cl10]
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 [17.1343]
_cell_length_b [4.0695]
_cell_length_c [8.8430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1749]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La4H2Cl5]
_chemical_formula_sum '[La8 H4 Cl10]'
_cell_volume [595.1102]
_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  0.0002  0.0000  0.7447  1.0
  La  La1  4  0.1383  0.5000  0.5700  1.0
  H  H2  4  0.0004  0.5000  0.6233  1.0
  Cl  Cl3  4  0.1731  0.0000  0.8143  1.0
  Cl  Cl4  4  0.1764  0.0000  0.3544  1.0
  Cl  Cl5  2  0.0000  0.5000  0.0000  1.0
]