data_Li2CrMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.46
_cell_length_b   4.2
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   97.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CrMo
_chemical_formula_sum   'Li2 Cr1 Mo1'
_cell_volume   57.74
_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  0.44  0.1  0.03  1.0
  Li  Li2  1  0.71  0.0  0.35  1.0
  Cr  Cr0  1  0.05  0.0  0.04  1.0
  Mo  Mo3  1  0.82  0.1  0.97  1.0

data_Li2CrMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.46
_cell_length_b   4.2
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   97.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CrMo
_chemical_formula_sum   'Li2 Cr1 Mo1'
_cell_volume   57.74
_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  0.44  0.1  0.03  1.0
  Li  Li1  1  0.71  0.0  0.35  1.0
  Cr  Cr2  1  0.05  0.0  0.04  1.0
  Mo  Mo3  1  0.82  0.1  0.97  1.0

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