data_[Ce2Ni2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.7475]
_cell_length_b [4.3850]
_cell_length_c [5.2004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5301]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeNiH]
_chemical_formula_sum '[Ce2 Ni2 H2]'
_cell_volume [83.7324]
_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
[
  Ce  Ce0  2  0.3651  0.2500  0.7149  1.0
  Ni  Ni1  2  0.0447  0.2500  0.1345  1.0
  H  H2  2  0.1812  0.7500  0.5959  1.0
]