data_[Hf8Zr16As12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  As  2.1800  1.1500  0.6600
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.3843]
_cell_length_b [5.9951]
_cell_length_c [13.0934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf2Zr4(AsC)3]
_chemical_formula_sum '[Hf8 Zr16 As12 C12]'
_cell_volume [786.1301]
_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
[
  Hf  Hf0  8  0.0513  0.4162  0.4028  1
  Zr  Zr1  8  0.1167  0.0828  0.5999  1
  Zr  Zr2  8  0.2163  0.0839  0.9000  1
  As  As3  8  0.1642  0.4196  0.7497  1
  As  As4  4  0.0000  0.0877  0.2500  1
  C  C5  8  0.0816  0.7449  0.5000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]