data_LaTaRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.2
_cell_length_c   7.38
_cell_angle_alpha   90.0
_cell_angle_beta   92.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTaRu2
_chemical_formula_sum   'La1 Ta1 Ru2'
_cell_volume   75.8
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.87  0.0  0.69  1.0
  Ru  Ru1  1  0.47  0.6  0.2  1.0
  Ru  Ru2  1  0.47  0.6  0.18  1.0

data_LaTaRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   3.21
_cell_length_c   7.38
_cell_angle_alpha   92.09
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTaRu2
_chemical_formula_sum   'La1 Ta1 Ru2'
_cell_volume   75.8
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.13  0.31  1.0
  Ru  Ru2  1  0.4  0.53  0.8  1.0
  Ru  Ru3  1  0.4  0.53  0.82  1.0

La Ta Ru Ru