data_[Sr8Er4Sc4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.5158]
_cell_length_b [13.7590]
_cell_length_c [11.4896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2ErScO5]
_chemical_formula_sum '[Sr8 Er4 Sc4 O20]'
_cell_volume [555.7966]
_cell_formula_units_Z [4]
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
[
  Sr  Sr0  4  0.0000  0.0897  0.6718  1.0
  Sr  Sr1  4  0.0000  0.1503  0.3014  1.0
  Er  Er2  4  0.0000  0.2199  0.0256  1.0
  Sc  Sc3  4  0.0000  0.4697  0.4476  1.0
  O  O4  4  0.0000  0.0541  0.0323  1.0
  O  O5  4  0.0000  0.2714  0.6594  1.0
  O  O6  4  0.0000  0.3129  0.4081  1.0
  O  O7  4  0.0000  0.3789  0.9967  1.0
  O  O8  4  0.0000  0.4925  0.7812  1.0
]