data_LaMoRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.7
_cell_length_b   9.7
_cell_length_c   9.7
_cell_angle_alpha   17.42
_cell_angle_beta   17.42
_cell_angle_gamma   17.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMoRu2
_chemical_formula_sum   'La1 Mo1 Ru2'
_cell_volume   71.31
_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  0.32  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.0  0.49  1.0
  Ru  Ru3  1  0.0  0.0  0.14  1.0

data_LaMoRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.09
_cell_length_b   2.94
_cell_length_c   9.7
_cell_angle_alpha   90.0
_cell_angle_beta   100.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaMoRu2
_chemical_formula_sum   'La2 Mo2 Ru4'
_cell_volume   142.62
_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  0.68  1.0
  Mo  Mo1  2  0.0  0.0  0.0  1.0
  Ru  Ru2  2  0.0  0.0  0.51  1.0
  Ru  Ru3  2  0.0  0.0  0.86  1.0

La Mo Ru Ru