data_ErAlO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   3.45
_cell_length_c   11.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErAlO3
_chemical_formula_sum   'Er2 Al2 O6'
_cell_volume   117.73
_cell_formula_units_Z   2
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  Er0  1  0.0  0.0  0.72  1.0
  Er  Er1  1  0.0  0.0  0.0  1.0
  Al  Al2  1  0.72  0.99  0.59  1.0
  Al  Al3  1  0.0  0.99  0.86  1.0
  O  O4  1  0.72  0.99  0.77  1.0
  O  O5  1  0.72  0.99  0.41  1.0
  O  O6  1  0.0  0.0  0.59  1.0
  O  O7  1  0.0  0.0  0.86  1.0
  O  O8  1  0.0  0.99  0.68  1.0
  O  O9  1  0.0  0.99  0.04  1.0

data_ErAlO3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.45
_cell_length_b   5.97
_cell_length_c   11.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ErAlO3
_chemical_formula_sum   'Er4 Al4 O12'
_cell_volume   235.46
_cell_formula_units_Z   4
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
  Er  Er1  2  0.0  0.0  0.72  1.0
  Al  Al2  2  0.01  0.0  0.86  1.0
  Al  Al3  2  0.23  0.5  0.59  1.0
  O  O4  2  0.0  0.0  0.59  1.0
  O  O5  2  0.0  0.0  0.86  1.0
  O  O6  2  0.01  0.0  0.04  1.0
  O  O7  2  0.01  0.0  0.68  1.0
  O  O8  2  0.23  0.5  0.41  1.0
  O  O9  2  0.23  0.5  0.77  1.0

Er Er Al Al O O O O O O
Er Er Al Al O O O O O O 0 8 o - o 0 4 - - o 1 9 o - o 2 6 + + o 2 5 o o o 3 7 o + o 5 6 + + o 6 8 o - o 