data_Li2BeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   2.39
_cell_angle_alpha   101.46
_cell_angle_beta   101.46
_cell_angle_gamma   123.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BeMo
_chemical_formula_sum   'Li2 Be1 Mo1'
_cell_volume   54.22
_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  0.79  0.58  0.08  1.0
  Li  Li2  1  0.79  0.42  0.08  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.59  0.0  0.0  1.0

data_Li2BeMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.39
_cell_length_b   4.69
_cell_length_c   5.48
_cell_angle_alpha   114.72
_cell_angle_beta   101.46
_cell_angle_gamma   92.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BeMo
_chemical_formula_sum   'Li2 Be1 Mo1'
_cell_volume   54.22
_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  0.5  0.42  0.21  1.0
  Li  Li1  1  0.67  0.58  0.37  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.59  1.0

Li Li Be Mo