data_La2CoRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   3.54
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CoRu
_chemical_formula_sum   'La2 Co1 Ru1'
_cell_volume   87.86
_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  0.48  0.0  0.72  1.0
  La  La2  1  0.48  0.0  0.29  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.51  1.0

data_La2CoRu
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   3.54
_cell_length_b   7.01
_cell_length_c   3.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   La2CoRu
_chemical_formula_sum   'La2 Co1 Ru1'
_cell_volume   87.87
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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  0.0  0.28  0.48  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.5  0.0  1.0

La La Co Ru