data_[Ca8Pm4Cu4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pm  1.1300  1.8500  1.1100
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.3392]
_cell_length_b [6.3392]
_cell_length_c [11.3475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Ca2PmCuO5]
_chemical_formula_sum '[Ca8 Pm4 Cu4 O20]'
_cell_volume [456.0079]
_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
[
  Ca  Ca0  8  0.1671  0.6671  0.5000  1
  Pm  Pm1  4  0.0000  0.0000  0.2500  1
  Cu  Cu2  4  0.0000  0.5000  0.2500  1
  O  O3  16  0.1574  0.3426  0.3574  1
  O  O4  4  0.0000  0.0000  0.0000  1
]