data_[Ce2Y2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Y  1.2200  1.8000  1.0400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.3194]
_cell_length_b [3.3194]
_cell_length_c [10.8062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [CeYH]
_chemical_formula_sum '[Ce2 Y2 H2]'
_cell_volume [119.0693]
_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  0.0000  0.5000  0.6146  1
  Y  Y1  2  0.0000  0.5000  0.1406  1
  H  H2  2  0.0000  0.5000  0.8334  1
]