data_LuZn12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73
_cell_length_b   6.73
_cell_length_c   6.73
_cell_angle_alpha   99.28
_cell_angle_beta   99.28
_cell_angle_gamma   132.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuZn12
_chemical_formula_sum   'Lu1 Zn12'
_cell_volume   205.0
_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
  Lu  Lu0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.18  0.18  0.65  1.0
  Zn  Zn2  1  0.18  0.18  0.35  1.0
  Zn  Zn3  1  0.82  0.18  0.35  1.0
  Zn  Zn4  1  0.18  0.82  0.35  1.0
  Zn  Zn5  1  0.06  0.0  0.0  1.0
  Zn  Zn6  1  0.66  0.0  0.0  1.0
  Zn  Zn7  1  0.0  0.66  0.0  1.0
  Zn  Zn8  1  0.0  0.06  0.0  1.0
  Zn  Zn9  1  0.46  0.36  0.0  1.0
  Zn  Zn10  1  0.9  0.0  0.7  1.0
  Zn  Zn11  1  0.0  0.9  0.7  1.0
  Zn  Zn12  1  0.36  0.46  0.0  1.0

data_LuZn12
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.4
_cell_length_b   12.32
_cell_length_c   6.73
_cell_angle_alpha   90.0
_cell_angle_beta   113.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LuZn12
_chemical_formula_sum   'Lu2 Zn24'
_cell_volume   410.01
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Zn  Zn1  4  0.09  0.45  0.0  1.0
  Zn  Zn2  4  0.17  0.17  0.0  1.0
  Zn  Zn3  4  0.25  0.45  0.7  1.0
  Zn  Zn4  4  0.35  0.18  0.35  1.0
  Zn  Zn5  4  0.47  0.47  0.0  1.0
  Zn  Zn6  2  0.17  0.0  0.35  1.0
  Zn  Zn7  2  0.47  0.0  0.65  1.0

Lu Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn