data_ErSc(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   6.04
_cell_angle_alpha   47.79
_cell_angle_beta   47.79
_cell_angle_gamma   47.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErSc(BO3)2
_chemical_formula_sum   'Er1 Sc1 B2 O6'
_cell_volume   110.74
_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  Er0  1  0.0  0.0  0.01  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.0  0.0  0.95  1.0
  B  B3  1  0.0  0.0  0.07  1.0
  O  O4  1  0.94  0.52  0.63  1.0
  O  O5  1  0.81  0.82  0.63  1.0
  O  O6  1  0.25  0.66  0.63  1.0
  O  O7  1  0.19  0.18  0.39  1.0
  O  O8  1  0.75  0.34  0.39  1.0
  O  O9  1  0.06  0.48  0.39  1.0

data_ErSc(BO3)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   6.04
_cell_angle_alpha   66.1
_cell_angle_beta   66.1
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErSc(BO3)2
_chemical_formula_sum   'Er1 Sc1 B2 O6'
_cell_volume   110.74
_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  Er0  1  0.0  0.99  0.01  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.0  0.05  0.95  1.0
  B  B3  1  0.0  0.93  0.07  1.0
  O  O4  1  0.18  0.37  0.26  1.0
  O  O5  1  0.34  0.37  0.53  1.0
  O  O6  1  0.48  0.37  0.09  1.0
  O  O7  1  0.52  0.61  0.93  1.0
  O  O8  1  0.66  0.61  0.49  1.0
  O  O9  1  0.82  0.61  0.75  1.0

Er Sc B B O O O O O O