data_LiCoMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   4.37
_cell_angle_alpha   145.73
_cell_angle_beta   126.48
_cell_angle_gamma   65.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCoMo
_chemical_formula_sum   'Li1 Co1 Mo1'
_cell_volume   37.35
_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  0.49  1.0
  Co  Co0  1  0.0  0.0  0.34  1.0
  Mo  Mo2  1  0.0  0.0  0.92  1.0

data_LiCoMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.58
_cell_length_b   3.94
_cell_length_c   4.37
_cell_angle_alpha   116.76
_cell_angle_beta   107.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCoMo
_chemical_formula_sum   'Li1 Co1 Mo1'
_cell_volume   37.35
_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  0.51  0.51  0.51  1.0
  Co  Co1  1  0.66  0.66  0.66  1.0
  Mo  Mo2  1  0.08  0.08  0.08  1.0

Li Co Mo