data_[Sr6Ce2Hf4As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ce  1.1200  1.8500  1.0800
  Hf  1.3000  1.5500  0.8500
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1530]
_cell_length_b [12.3996]
_cell_length_c [7.4799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6607]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3Ce(HfAs3)2]
_chemical_formula_sum '[Sr6 Ce2 Hf4 As12]'
_cell_volume [628.5456]
_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
[
  Sr  Sr0  4  0.0000  0.1638  0.5000  1
  Sr  Sr1  2  0.0000  0.5000  0.5000  1
  Ce  Ce2  2  0.0000  0.0000  0.0000  1
  Hf  Hf3  4  0.0000  0.3327  0.0000  1
  As  As4  8  0.2444  0.1732  0.2132  1
  As  As5  4  0.2241  0.5000  0.2115  1
]