data_[Ti20Sb8P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6980]
_cell_length_b [13.4592]
_cell_length_c [11.3862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ti5Sb2P]
_chemical_formula_sum '[Ti20 Sb8 P4]'
_cell_volume [719.9603]
_cell_formula_units_Z [4]
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  0.0000  0.0935  0.1310  1
  Ti  Ti1  8  0.0000  0.2951  0.0419  1
  Ti  Ti2  4  0.0000  0.2850  0.7500  1
  Sb  Sb3  8  0.0000  0.1121  0.6069  1
  P  P4  4  0.0000  0.2434  0.2500  1
]