data_LiCoRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   4.41
_cell_angle_alpha   145.97
_cell_angle_beta   131.07
_cell_angle_gamma   60.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCoRu
_chemical_formula_sum   'Li1 Co1 Ru1'
_cell_volume   35.83
_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
  Li  Li1  1  0.0  0.0  0.05  1.0
  Co  Co0  1  0.0  0.0  0.55  1.0
  Ru  Ru2  1  0.0  0.0  0.6  1.0

data_LiCoRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.58
_cell_length_b   3.65
_cell_length_c   4.41
_cell_angle_alpha   114.47
_cell_angle_beta   107.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCoRu
_chemical_formula_sum   'Li1 Co1 Ru1'
_cell_volume   35.83
_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
  Li  Li0  1  0.0  0.05  0.05  1.0
  Co  Co1  1  0.0  0.55  0.55  1.0
  Ru  Ru2  1  0.0  0.6  0.6  1.0

Li Co Ru