data_TaBiRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   135.65
_cell_angle_beta   135.65
_cell_angle_gamma   64.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBiRu2
_chemical_formula_sum   'Ta1 Bi1 Ru2'
_cell_volume   69.1
_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  0.0  0.43  1.0
  Bi  Bi0  1  0.0  0.98  0.21  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.98  0.0  0.21  1.0

data_TaBiRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   5.23
_cell_angle_alpha   112.17
_cell_angle_beta   112.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBiRu2
_chemical_formula_sum   'Ta1 Bi1 Ru2'
_cell_volume   69.1
_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  0.57  0.0  0.57  1.0
  Bi  Bi1  1  0.76  0.98  0.76  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.79  0.0  0.76  1.0

Ta Bi Ru Ru