data_Li2CoMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.29
_cell_length_b   9.29
_cell_length_c   9.29
_cell_angle_alpha   16.81
_cell_angle_beta   16.81
_cell_angle_gamma   16.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CoMo
_chemical_formula_sum   'Li2 Co1 Mo1'
_cell_volume   58.39
_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  0.22  1.0
  Li  Li2  1  0.0  0.0  0.63  1.0
  Co  Co0  1  0.0  0.0  0.81  1.0
  Mo  Mo3  1  0.0  0.0  0.98  1.0

data_Li2CoMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.7
_cell_length_b   2.71
_cell_length_c   9.29
_cell_angle_alpha   90.0
_cell_angle_beta   99.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2CoMo
_chemical_formula_sum   'Li4 Co2 Mo2'
_cell_volume   116.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.37  1.0
  Li  Li1  2  0.0  0.0  0.78  1.0
  Co  Co2  2  0.0  0.0  0.19  1.0
  Mo  Mo3  2  0.0  0.0  0.02  1.0

Li Li Co Mo
Li Li Co Mo 0 0 o + - 0 0 + - o 0 0 + o - 0 3 o o - 1 2 o o o 2 3 o o o 