data_[La4H4Cl4]
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 [7.0989]
_cell_length_b [4.0988]
_cell_length_c [10.3110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4872]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaHCl]
_chemical_formula_sum '[La4 H4 Cl4]'
_cell_volume [299.4658]
_cell_formula_units_Z [4]
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  0.1542  0.0000  0.3541  1
  H  H1  4  0.1740  0.0000  0.5863  1
  Cl  Cl2  4  0.0271  0.5000  0.8114  1
]