data_LaErO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   6.17
_cell_angle_alpha   57.44
_cell_angle_beta   57.44
_cell_angle_gamma   57.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaErO3
_chemical_formula_sum   'La2 Er2 O6'
_cell_volume   156.02
_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
  La  La2  1  0.0  0.0  0.65  1.0
  La  La3  1  0.0  0.0  0.74  1.0
  Er  Er0  1  0.0  0.0  0.26  1.0
  Er  Er1  1  0.0  0.0  0.13  1.0
  O  O4  1  0.04  0.99  0.46  1.0
  O  O5  1  0.75  0.17  0.46  1.0
  O  O6  1  0.21  0.83  0.46  1.0
  O  O7  1  0.79  0.17  0.93  1.0
  O  O8  1  0.25  0.83  0.93  1.0
  O  O9  1  0.96  0.01  0.93  1.0

data_LaErO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   6.17
_cell_angle_alpha   61.28
_cell_angle_beta   61.28
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LaErO3
_chemical_formula_sum   'La2 Er2 O6'
_cell_volume   156.02
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  La  La0  2  0.0  0.04  0.46  1.0
  Er  Er1  2  0.0  0.44  0.06  1.0
  O  O2  2  0.01  0.24  0.3  1.0
  O  O3  2  0.17  0.24  0.3  1.0
  O  O4  2  0.17  0.76  0.81  1.0

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