data_TaRu2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   137.44
_cell_angle_beta   137.44
_cell_angle_gamma   61.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRu2Cl
_chemical_formula_sum   'Ta1 Ru2 Cl1'
_cell_volume   62.42
_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  Ta3  1  0.0  0.88  0.22  1.0
  Ru  Ru1  1  0.88  0.0  0.22  1.0
  Ru  Ru2  1  0.0  0.0  0.44  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_TaRu2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   5.17
_cell_angle_alpha   111.28
_cell_angle_beta   111.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRu2Cl
_chemical_formula_sum   'Ta1 Ru2 Cl1'
_cell_volume   62.42
_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  0.66  0.88  0.66  1.0
  Ru  Ru1  1  0.56  0.0  0.56  1.0
  Ru  Ru2  1  0.78  0.0  0.66  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ta Ru Ru Cl