data_Lu(MnAl2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   6.68
_cell_angle_alpha   98.53
_cell_angle_beta   98.53
_cell_angle_gamma   134.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu(MnAl2)4
_chemical_formula_sum   'Lu1 Mn4 Al8'
_cell_volume   195.59
_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  Lu8  1  0.0  0.0  0.0  1.0
  Mn  Mn9  1  0.18  0.18  0.29  1.0
  Mn  Mn10  1  0.18  0.18  0.71  1.0
  Mn  Mn11  1  0.82  0.18  0.29  1.0
  Mn  Mn12  1  0.18  0.82  0.29  1.0
  Al  Al0  1  0.95  0.0  0.57  1.0
  Al  Al1  1  0.36  0.41  0.0  1.0
  Al  Al2  1  0.92  0.0  0.0  1.0
  Al  Al3  1  0.0  0.8  0.0  1.0
  Al  Al4  1  0.0  0.92  0.0  1.0
  Al  Al5  1  0.8  0.0  0.0  1.0
  Al  Al6  1  0.0  0.95  0.57  1.0
  Al  Al7  1  0.41  0.36  0.0  1.0

data_Lu(MnAl2)4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.15
_cell_length_b   12.33
_cell_length_c   6.68
_cell_angle_alpha   90.0
_cell_angle_beta   112.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Lu(MnAl2)4
_chemical_formula_sum   'Lu2 Mn8 Al16'
_cell_volume   391.18
_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
  Mn  Mn1  4  0.0  0.18  0.71  1.0
  Mn  Mn2  2  0.32  0.5  0.29  1.0
  Mn  Mn3  2  0.32  0.5  0.71  1.0
  Al  Al4  4  0.03  0.03  0.43  1.0
  Al  Al5  4  0.04  0.04  -0.0  1.0
  Al  Al6  4  0.1  0.1  -0.0  1.0
  Al  Al7  4  0.11  0.47  -0.0  1.0

Lu Mn Mn Mn Mn Al Al Al Al Al Al Al Al