data_[Hf6As2C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  As  2.1800  1.1500  0.6600
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.2823]
_cell_length_b [9.5087]
_cell_length_c [5.8447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Hf3AsC2]
_chemical_formula_sum '[Hf6 As2 C4]'
_cell_volume [182.4151]
_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
[
  Hf  Hf0  2  0.0000  0.4058  0.7514  1
  Hf  Hf1  2  0.5000  0.0820  0.6410  1
  Hf  Hf2  2  0.5000  0.3138  0.2843  1
  As  As3  2  0.0000  0.1385  0.0109  1
  C  C4  2  0.0000  0.2155  0.5006  1
  C  C5  2  0.5000  0.4934  0.0131  1
]