data_LaHfRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   6.72
_cell_angle_alpha   151.12
_cell_angle_beta   151.12
_cell_angle_gamma   41.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHfRu
_chemical_formula_sum   'La1 Hf1 Ru1'
_cell_volume   70.64
_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  La1  1  0.0  0.0  0.6  1.0
  Hf  Hf0  1  0.0  0.0  0.06  1.0
  Ru  Ru2  1  0.0  0.0  0.49  1.0

data_LaHfRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   110.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaHfRu
_chemical_formula_sum   'La2 Hf2 Ru2'
_cell_volume   141.28
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.4  1.0
  Hf  Hf1  2  0.0  0.0  0.94  1.0
  Ru  Ru2  2  0.0  0.0  0.51  1.0

La Hf Ru