data_[Ce4As6H8]
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 [C2/m]
_cell_length_a [10.7800]
_cell_length_b [3.8913]
_cell_length_c [6.4657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7119]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2As3H4]
_chemical_formula_sum '[Ce4 As6 H8]'
_cell_volume [269.3647]
_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  0.2404  0.5000  0.7426  1.0
  As  As1  4  0.0396  0.5000  0.3164  1.0
  As  As2  2  0.0000  0.0000  0.0000  1.0
  H  H3  4  0.1869  0.0000  0.5722  1.0
  H  H4  4  0.2336  0.5000  0.0868  1.0
]