data_LiCo2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.43
_cell_angle_alpha   103.17
_cell_angle_beta   103.17
_cell_angle_gamma   31.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCo2Mo
_chemical_formula_sum   'Li1 Co2 Mo1'
_cell_volume   49.32
_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  Li2  1  0.88  0.0  0.94  1.0
  Co  Co0  1  0.16  0.0  0.2  1.0
  Co  Co1  1  0.25  0.0  0.2  1.0
  Mo  Mo3  1  0.58  0.0  0.42  1.0

data_LiCo2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.55
_cell_length_b   4.43
_cell_length_c   4.68
_cell_angle_alpha   103.17
_cell_angle_beta   105.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCo2Mo
_chemical_formula_sum   'Li1 Co2 Mo1'
_cell_volume   49.32
_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  0.94  0.88  1.0
  Co  Co1  1  0.0  0.2  0.16  1.0
  Co  Co2  1  0.0  0.2  0.25  1.0
  Mo  Mo3  1  0.0  0.42  0.58  1.0

Li Co Co Mo