data_[Ce4As12]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0592]
_cell_length_b [7.6038]
_cell_length_c [5.4979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5934]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeAs3]
_chemical_formula_sum '[Ce4 As12]'
_cell_volume [356.7880]
_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  4  0.1715  0.5000  0.3183  1.0
  As  As1  8  0.1319  0.2979  0.7811  1.0
  As  As2  4  0.0098  0.0000  0.2415  1.0
]