data_[La4Si4Ni4H2]
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
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5741]
_cell_length_b [4.0966]
_cell_length_c [7.1973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.2450]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Si2Ni2H]
_chemical_formula_sum '[La4 Si4 Ni4 H2]'
_cell_volume [237.9704]
_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  0.0580  0.5000  0.8278  1.0
  Si  Si1  4  0.1549  0.0000  0.6018  1.0
  Ni  Ni2  4  0.2109  0.0000  0.3294  1.0
  H  H3  2  0.0000  0.0000  0.0000  1.0
]