data_[Ce6Hf4Sc2As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Hf  1.3000  1.5500  0.8500
  Sc  1.3600  1.6000  0.8850
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9698]
_cell_length_b [12.0721]
_cell_length_c [6.9866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4070]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3Hf2ScAs6]
_chemical_formula_sum '[Ce6 Hf4 Sc2 As12]'
_cell_volume [554.4543]
_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  0.0000  0.1657  0.5000  1.0
  Ce  Ce1  2  0.0000  0.5000  0.5000  1.0
  Hf  Hf2  4  0.0000  0.3331  0.0000  1.0
  Sc  Sc3  2  0.0000  0.0000  0.0000  1.0
  As  As4  8  0.2432  0.1673  0.2272  1.0
  As  As5  4  0.2405  0.5000  0.2261  1.0
]