data_ErAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   134.9
_cell_angle_beta   134.9
_cell_angle_gamma   65.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErAl3
_chemical_formula_sum   'Er1 Al3'
_cell_volume   78.95
_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  Er3  1  0.0  0.0  0.56  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.08  0.0  0.28  1.0
  Al  Al2  1  0.0  0.08  0.28  1.0

data_ErAl3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   122.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ErAl3
_chemical_formula_sum   'Er2 Al6'
_cell_volume   157.9
_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  0.56  1.0
  Al  Al1  4  0.46  0.46  0.2  1.0
  Al  Al2  2  0.0  0.0  0.0  1.0

Er Al Al Al
Er Al Al Al 0 3 o o o 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o o 