data_[Ti6V8P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  V  1.6300  1.3500  0.7775
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.3307]
_cell_length_b [7.1598]
_cell_length_c [12.7697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ti3(VP)4]
_chemical_formula_sum '[Ti6 V8 P8]'
_cell_volume [304.5239]
_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  0.0000  0.1102  1
  Ti  Ti1  2  0.0000  0.5000  0.0000  1
  V  V2  8  0.0000  0.1952  0.3256  1
  P  P3  4  0.0000  0.2979  0.5000  1
  P  P4  4  0.0000  0.5000  0.2407  1
]