data_TaCr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   4.13
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   100.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCr2Ru
_chemical_formula_sum   'Ta1 Cr2 Ru1'
_cell_volume   55.93
_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  0.95  0.06  0.73  1.0
  Cr  Cr0  1  0.65  0.0  0.13  1.0
  Cr  Cr1  1  0.9  0.06  0.16  1.0
  Ru  Ru2  1  0.91  0.0  0.42  1.0

data_TaCr2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.13
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   100.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCr2Ru
_chemical_formula_sum   'Ta1 Cr2 Ru1'
_cell_volume   55.93
_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  0.95  0.06  0.73  1.0
  Cr  Cr1  1  0.65  0.0  0.13  1.0
  Cr  Cr2  1  0.9  0.06  0.16  1.0
  Ru  Ru3  1  0.91  0.0  0.42  1.0

Ta Cr Cr Ru