data_[Ti24Mo8P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Mo  2.1600  1.4500  0.7750
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9021]
_cell_length_b [5.9393]
_cell_length_c [11.5198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5903]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ti3MoP]
_chemical_formula_sum '[Ti24 Mo8 P8]'
_cell_volume [652.5639]
_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  0.0441  0.1814  0.0650  1
  Ti  Ti1  8  0.1545  0.0595  0.8100  1
  Ti  Ti2  8  0.2178  0.3944  0.3985  1
  Mo  Mo3  8  0.0682  0.3680  0.6447  1
  P  P4  4  0.0000  0.2942  0.2500  1
  P  P5  4  0.2500  0.2500  0.0000  1
]