data_[Ce2Sb4H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sb  2.0500  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.7238]
_cell_length_b [4.1091]
_cell_length_c [4.1702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1680]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CeSb2H]
_chemical_formula_sum '[Ce2 Sb4 H2]'
_cell_volume [172.4955]
_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  0.0275  0.5000  0.5227  1
  Sb  Sb1  2  0.1826  0.0000  0.1497  1
  Sb  Sb2  2  0.3537  0.5000  0.9195  1
  H  H3  2  0.4383  0.0000  0.9442  1
]