data_[Mg4Pa4Cu4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Pa  1.5000  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.7889]
_cell_length_b [9.1146]
_cell_length_c [7.2497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4320]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MgPaCuO5]
_chemical_formula_sum '[Mg4 Pa4 Cu4 O20]'
_cell_volume [425.5845]
_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
[
  Mg  Mg0  4  0.0000  0.3637  0.2500  1
  Pa  Pa1  4  0.0000  0.0000  0.0000  1
  Cu  Cu2  4  0.0000  0.3135  0.7500  1
  O  O3  8  0.1698  0.4634  0.8991  1
  O  O4  8  0.1741  0.1606  0.7390  1
  O  O5  4  0.0000  0.1408  0.2500  1
]