data_[Ba8Er4Tm4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.6502]
_cell_length_b [14.2334]
_cell_length_c [12.3256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2ErTmO5]
_chemical_formula_sum '[Ba8 Er4 Tm4 O20]'
_cell_volume [640.3732]
_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
[
  Ba  Ba0  4  0.0000  0.0903  0.6737  1.0
  Ba  Ba1  4  0.0000  0.1517  0.2948  1.0
  Er  Er2  4  0.0000  0.2231  0.0228  1.0
  Tm  Tm3  4  0.0000  0.4682  0.4517  1.0
  O  O4  4  0.0000  0.0612  0.0350  1.0
  O  O5  4  0.0000  0.2709  0.6460  1.0
  O  O6  4  0.0000  0.3098  0.4144  1.0
  O  O7  4  0.0000  0.3778  0.9990  1.0
  O  O8  4  0.0000  0.4921  0.7867  1.0
]