data_Er(MnAl2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.7
_cell_length_b   6.7
_cell_length_c   6.7
_cell_angle_alpha   98.49
_cell_angle_beta   98.49
_cell_angle_gamma   134.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er(MnAl2)4
_chemical_formula_sum   'Er1 Mn4 Al8'
_cell_volume   196.96
_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
  Er  Er8  1  0.0  0.0  0.0  1.0
  Mn  Mn9  1  0.19  0.19  0.29  1.0
  Mn  Mn10  1  0.19  0.19  0.71  1.0
  Mn  Mn11  1  0.81  0.19  0.29  1.0
  Mn  Mn12  1  0.19  0.81  0.29  1.0
  Al  Al0  1  0.96  0.0  0.57  1.0
  Al  Al1  1  0.37  0.42  0.0  1.0
  Al  Al2  1  0.94  0.0  0.0  1.0
  Al  Al3  1  0.0  0.8  0.0  1.0
  Al  Al4  1  0.0  0.94  0.0  1.0
  Al  Al5  1  0.8  0.0  0.0  1.0
  Al  Al6  1  0.0  0.96  0.57  1.0
  Al  Al7  1  0.42  0.37  0.0  1.0

data_Er(MnAl2)4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.15
_cell_length_b   12.37
_cell_length_c   6.7
_cell_angle_alpha   90.0
_cell_angle_beta   112.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Er(MnAl2)4
_chemical_formula_sum   'Er2 Mn8 Al16'
_cell_volume   393.92
_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
  Er  Er0  2  0.0  0.0  0.0  1.0
  Mn  Mn1  4  -0.0  0.19  0.71  1.0
  Mn  Mn2  2  0.31  0.5  0.29  1.0
  Mn  Mn3  2  0.31  0.5  0.71  1.0
  Al  Al4  4  0.02  0.02  0.43  1.0
  Al  Al5  4  0.03  0.03  -0.0  1.0
  Al  Al6  4  0.1  0.1  -0.0  1.0
  Al  Al7  4  0.1  0.48  -0.0  1.0

Er Mn Mn Mn Mn Al Al Al Al Al Al Al Al
Er Mn Mn Mn Mn Al Al Al Al Al Al Al Al 0 7 - o o 0 9 o - o 0 1 o o o 1 7 - o o 1 9 o - o 1 3 - o o 1 4 o - o 2 11 o - o 2 5 - o o 3 10 o o o 4 8 o o o 5 11 + - o 6 12 o o o 7 10 o o o 8 9 o o o 