data_[Ce4Be2H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Be  1.5700  1.0500  0.5900
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.0347]
_cell_length_b [6.9314]
_cell_length_c [7.6484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ce2BeH6]
_chemical_formula_sum '[Ce4 Be2 H12]'
_cell_volume [185.7777]
_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  4  0.2474  0.6661  0.2493  1.0
  Be  Be1  2  0.5000  0.0000  0.5000  1.0
  H  H2  4  0.2346  0.1096  0.5629  1.0
  H  H3  4  0.2479  0.0068  0.2623  1.0
  H  H4  4  0.3927  0.1622  0.8859  1.0
]