data_[Ce12As10H2]
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 [7.2762]
_cell_length_b [12.5912]
_cell_length_c [7.2835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6As5H]
_chemical_formula_sum '[Ce12 As10 H2]'
_cell_volume [628.9691]
_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  8  0.2480  0.1657  0.2477  1.0
  Ce  Ce1  4  0.2483  0.0000  0.7483  1.0
  As  As2  4  0.0000  0.1695  0.5000  1.0
  As  As3  4  0.0000  0.3339  0.0000  1.0
  As  As4  2  0.0000  0.5000  0.5000  1.0
  H  H5  2  0.0000  0.0000  0.0000  1.0
]