data_Li2ReW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   4.61
_cell_angle_alpha   98.47
_cell_angle_beta   98.47
_cell_angle_gamma   30.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ReW
_chemical_formula_sum   'Li2 Re1 W1'
_cell_volume   60.82
_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  0.28  0.0  0.16  1.0
  Li  Li1  1  0.94  0.0  0.4  1.0
  Re  Re2  1  0.61  0.0  0.28  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_Li2ReW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.61
_cell_length_c   5.14
_cell_angle_alpha   98.47
_cell_angle_beta   105.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ReW
_chemical_formula_sum   'Li2 Re1 W1'
_cell_volume   60.82
_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  0.16  0.28  1.0
  Li  Li1  1  0.0  0.4  0.94  1.0
  Re  Re2  1  0.0  0.28  0.61  1.0
  W  W3  1  0.0  0.0  0.0  1.0

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