data_[Hf4Ti6As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ti  1.5400  1.4000  0.8517
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1041]
_cell_length_b [3.6697]
_cell_length_c [7.1955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8999]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2Ti3As2]
_chemical_formula_sum '[Hf4 Ti6 As4]'
_cell_volume [249.2463]
_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  4  0.1340  0.0000  0.7939  1.0
  Ti  Ti1  4  0.1229  0.5000  0.4483  1.0
  Ti  Ti2  2  0.0000  0.5000  0.0000  1.0
  As  As3  4  0.1619  0.0000  0.2125  1.0
]