data_LaMn2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   5.74
_cell_angle_alpha   110.82
_cell_angle_beta   110.82
_cell_angle_gamma   54.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMn2Ru
_chemical_formula_sum   'La1 Mn2 Ru1'
_cell_volume   76.53
_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  0.62  0.0  0.63  1.0
  Mn  Mn1  1  0.14  0.0  0.88  1.0
  Mn  Mn2  1  0.09  0.0  0.38  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_LaMn2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   4.23
_cell_length_c   5.74
_cell_angle_alpha   110.82
_cell_angle_beta   90.0
_cell_angle_gamma   117.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMn2Ru
_chemical_formula_sum   'La1 Mn2 Ru1'
_cell_volume   76.53
_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  0.38  0.37  1.0
  Mn  Mn1  1  0.0  0.86  0.12  1.0
  Mn  Mn2  1  0.0  0.91  0.62  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

La Mn Mn Ru