data_[Ce12As12H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  As  2.1800  1.1500  0.6600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0142]
_cell_length_b [10.6892]
_cell_length_c [14.2081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ce3As3H2]
_chemical_formula_sum '[Ce12 As12 H8]'
_cell_volume [609.6499]
_cell_formula_units_Z [4]
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  8  0.0000  0.3619  0.5545  1.0
  Ce  Ce1  4  0.0000  0.3449  0.2500  1.0
  As  As2  8  0.0000  0.0772  0.6033  1.0
  As  As3  4  0.0000  0.3629  0.7500  1.0
  H  H4  8  0.0000  0.2339  0.0874  1.0
]