data_[Ti6Ni8P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.5342]
_cell_length_b [6.5185]
_cell_length_c [12.0016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ti3(NiP)4]
_chemical_formula_sum '[Ti6 Ni8 P8]'
_cell_volume [276.4874]
_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  0.1128  1
  Ti  Ti1  2  0.0000  0.5000  0.0000  1
  Ni  Ni2  8  0.0000  0.1957  0.3246  1
  P  P3  4  0.0000  0.2901  0.5000  1
  P  P4  4  0.0000  0.5000  0.2232  1
]