data_Ta2SnRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   144.45
_cell_angle_beta   131.09
_cell_angle_gamma   61.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SnRu
_chemical_formula_sum   'Ta2 Sn1 Ru1'
_cell_volume   69.82
_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  0.66  0.0  0.24  1.0
  Ta  Ta3  1  0.0  0.25  0.43  1.0
  Sn  Sn1  1  0.0  0.0  0.67  1.0
  Ru  Ru0  1  0.0  0.0  0.0  1.0

data_Ta2SnRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.5
_cell_length_c   5.44
_cell_angle_alpha   114.46
_cell_angle_beta   107.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SnRu
_chemical_formula_sum   'Ta2 Sn1 Ru1'
_cell_volume   69.82
_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  0.42  0.76  0.42  1.0
  Ta  Ta1  1  0.57  0.83  0.83  1.0
  Sn  Sn2  1  0.33  0.33  0.33  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Ta Ta Sn Ru