data_Ta2PRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   7.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2PRu
_chemical_formula_sum   'Ta2 P1 Ru1'
_cell_volume   62.45
_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
  Ta  Ta2  1  0.0  0.0  0.14  1.0
  Ta  Ta3  1  0.9  0.0  0.33  1.0
  P  P0  1  0.0  0.0  0.55  1.0
  Ru  Ru1  1  0.9  0.0  0.23  1.0

data_Ta2PRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   7.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2PRu
_chemical_formula_sum   'Ta2 P1 Ru1'
_cell_volume   62.45
_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
  Ta  Ta0  1  0.0  0.0  0.14  1.0
  Ta  Ta1  1  0.9  0.0  0.33  1.0
  P  P2  1  0.0  0.0  0.55  1.0
  Ru  Ru3  1  0.9  0.0  0.23  1.0

Ta Ta P Ru
Ta Ta P Ru 0 3 - o o 1 3 o o o 1 2 + o o 