data_La2MnRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.62
_cell_length_b   8.62
_cell_length_c   8.62
_cell_angle_alpha   23.69
_cell_angle_beta   23.69
_cell_angle_gamma   23.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MnRu
_chemical_formula_sum   'La2 Mn1 Ru1'
_cell_volume   90.91
_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  0.3  1.0
  La  La1  1  0.0  0.0  0.83  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.57  1.0

data_La2MnRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.13
_cell_length_b   3.54
_cell_length_c   8.62
_cell_angle_alpha   90.0
_cell_angle_beta   103.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2MnRu
_chemical_formula_sum   'La4 Mn2 Ru2'
_cell_volume   181.82
_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  0.17  1.0
  La  La1  2  0.0  0.0  0.7  1.0
  Mn  Mn2  2  0.0  0.0  0.0  1.0
  Ru  Ru3  2  0.0  0.0  0.43  1.0

La La Mn Ru