data_[Ti6As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.6478]
_cell_length_b [7.8588]
_cell_length_c [19.2230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [Ti3As4]
_chemical_formula_sum '[Ti6 As8]'
_cell_volume [853.2109]
_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
[
  Ti  Ti0  4  0.0000  0.2461  0.5000  1
  Ti  Ti1  2  0.2500  0.5000  0.4082  1
  As  As2  4  0.2500  0.1868  0.3902  1
  As  As3  2  0.2500  0.0000  0.5470  1
  As  As4  2  0.2500  0.5000  0.5539  1
]