data_[Ti8As2Pt2]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pmna]
_cell_length_a [5.1579]
_cell_length_b [6.4571]
_cell_length_c [6.8548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [53]
_chemical_formula_structural [Ti4AsPt]
_chemical_formula_sum '[Ti8 As2 Pt2]'
_cell_volume [228.2971]
_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  0.3619  0.1431  1
  Ti  Ti1  4  0.2500  0.2430  0.7500  1
  As  As2  2  0.0000  0.0000  0.0000  1
  Pt  Pt3  2  0.0000  0.5000  0.5000  1
]