data_Li2MgW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.39
_cell_angle_alpha   97.54
_cell_angle_beta   97.54
_cell_angle_gamma   29.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MgW
_chemical_formula_sum   'Li2 Mg1 W1'
_cell_volume   68.11
_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  0.83  0.0  0.04  1.0
  Li  Li1  1  0.92  0.0  0.06  1.0
  Mg  Mg2  1  0.61  0.0  0.54  1.0
  W  W3  1  0.23  0.0  0.37  1.0

data_Li2MgW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.58
_cell_length_b   5.1
_cell_length_c   5.39
_cell_angle_alpha   97.54
_cell_angle_beta   90.0
_cell_angle_gamma   104.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MgW
_chemical_formula_sum   'Li2 Mg1 W1'
_cell_volume   68.11
_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  0.08  0.94  1.0
  Li  Li1  1  0.0  0.17  0.96  1.0
  Mg  Mg2  1  0.0  0.39  0.46  1.0
  W  W3  1  0.0  0.77  0.63  1.0

Li Li Mg W
Li Li Mg W 0 1 o o o 0 3 + o o 1 3 + o o 2 3 o o o 