data_[La12Ga8H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ga  1.8100  1.3000  0.7600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.2713]
_cell_length_b [6.5181]
_cell_length_c [7.0211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2762]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La3Ga2H]
_chemical_formula_sum '[La12 Ga8 H4]'
_cell_volume [595.6293]
_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  8  0.1405  0.1096  0.6060  1.0
  La  La1  4  0.0000  0.4297  0.2500  1.0
  Ga  Ga2  8  0.1761  0.3600  0.0449  1.0
  H  H3  4  0.0000  0.0585  0.2500  1.0
]