data_[Ti24P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.9923]
_cell_length_b [9.9923]
_cell_length_c [4.9540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Ti3P]
_chemical_formula_sum '[Ti24 P8]'
_cell_volume [494.6405]
_cell_formula_units_Z [8]
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  8  0.0280  0.6385  0.0220  1.0
  Ti  Ti1  8  0.0815  0.1090  0.2309  1.0
  Ti  Ti2  8  0.1808  0.2171  0.7511  1.0
  P  P3  8  0.0405  0.7084  0.5272  1.0
]