data_Lu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu
_chemical_formula_sum   Lu4
_cell_volume   138.17
_cell_formula_units_Z   4
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  0.0  0.36  1.0
  Lu  Lu1  1  0.0  0.0  0.08  1.0
  Lu  Lu2  1  0.0  0.13  0.36  1.0
  Lu  Lu3  1  0.71  0.56  0.08  1.0

data_Lu
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu
_chemical_formula_sum   Lu4
_cell_volume   138.17
_cell_formula_units_Z   4
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  0.13  0.36  1.0
  Lu  Lu1  1  0.0  0.0  0.08  1.0
  Lu  Lu2  1  0.0  0.0  0.36  1.0
  Lu  Lu3  1  0.71  0.56  0.08  1.0

Lu Lu Lu Lu
Lu Lu Lu Lu 0 2 o o o 0 1 o o o 1 2 o o o 1 3 - - o 