data_[Nd12Ga4H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4907]
_cell_length_b [8.3361]
_cell_length_c [11.0422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4115]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd6Ga2H]
_chemical_formula_sum '[Nd12 Ga4 H2]'
_cell_volume [498.7268]
_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
[
  Nd  Nd0  4  0.0932  0.1601  0.4474  1.0
  Nd  Nd1  4  0.3170  0.6992  0.4441  1.0
  Nd  Nd2  4  0.3442  0.0356  0.2278  1.0
  Ga  Ga3  4  0.1909  0.1190  0.7629  1.0
  H  H4  2  0.5000  0.0000  0.5000  1.0
]