data_Lu3W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu3W
_chemical_formula_sum   'Lu6 W2'
_cell_volume   190.21
_cell_formula_units_Z   2
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
  Lu  Lu0  1  0.0  0.95  0.85  1.0
  Lu  Lu1  1  0.58  0.69  0.85  1.0
  Lu  Lu2  1  0.42  0.69  0.85  1.0
  Lu  Lu3  1  0.27  0.71  0.28  1.0
  Lu  Lu4  1  0.69  0.98  0.28  1.0
  Lu  Lu5  1  0.85  0.98  0.28  1.0
  W  W6  1  0.0  0.78  0.28  1.0
  W  W7  1  0.27  0.89  0.85  1.0

data_Lu3W
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.13
_cell_length_b   6.54
_cell_length_c   6.54
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Lu3W
_chemical_formula_sum   'Lu6 W2'
_cell_volume   190.21
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Lu  Lu0  2  0.22  0.14  0.38  1.0
  Lu  Lu1  2  0.22  0.56  0.64  1.0
  Lu  Lu2  2  0.22  0.72  0.64  1.0
  W  W3  2  0.22  0.86  0.44  1.0

Lu Lu Lu Lu Lu Lu W W
Lu Lu Lu Lu Lu Lu W W 0 1 - o o 0 5 - o + 0 6 o o + 0 7 o o o 1 2 o o o 2 3 o o + 2 7 o o o 3 7 o o - 3 6 o o o 3 4 o o o 4 5 o o o 5 6 + o o 