[CIF]
data_Ti2PRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.00205952
_cell_length_b   3.00205952
_cell_length_c   6.49567218
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2PRu
_chemical_formula_sum   'Ti2 P1 Ru1'
_cell_volume   58.54134497
_cell_formula_units_Z   1
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
  P  P0  1  0.00000000  0.00000000  3.40286447  1
  Ru  Ru1  1  1.50102976  1.50102976  4.69619106  1
  Ti  Ti2  1  0.00000000  0.00000000  6.37589075  1
  Ti  Ti3  1  1.50102976  1.50102976  1.76423411  1
[/CIF]
