data_La2CoRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   3.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CoRu
_chemical_formula_sum   'La2 Co1 Ru1'
_cell_volume   87.89
_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  0.74  0.79  0.76  1.0
  La  La2  1  0.74  0.21  0.76  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.49  0.0  0.0  1.0

data_La2CoRu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.52
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   La2CoRu
_chemical_formula_sum   'La2 Co1 Ru1'
_cell_volume   87.92
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.76  0.21  0.74  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.0  0.49  1.0

La La Co Ru