data_[Ba8Pm4Zn4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pm  1.1300  1.8500  1.1100
  Zn  1.6500  1.3500  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.6586]
_cell_length_b [15.0506]
_cell_length_c [11.4625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2PmZnO5]
_chemical_formula_sum '[Ba8 Pm4 Zn4 O20]'
_cell_volume [631.1775]
_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  0.1073  0.6792  1
  Ba  Ba1  4  0.0000  0.1363  0.3332  1
  Pm  Pm2  4  0.0000  0.1935  0.0313  1
  Zn  Zn3  4  0.0000  0.4603  0.4350  1
  O  O4  4  0.0000  0.0291  0.0062  1
  O  O5  4  0.0000  0.2956  0.6612  1
  O  O6  4  0.0000  0.3276  0.3925  1
  O  O7  4  0.0000  0.3415  0.0073  1
  O  O8  4  0.0000  0.4927  0.7781  1
]