data_[Na4Mg1Cu4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5409]
_cell_length_b [5.6570]
_cell_length_c [8.6551]
_cell_angle_alpha [80.7914]
_cell_angle_beta [73.8264]
_cell_angle_gamma [75.2303]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na4Mg(CuO2)4]
_chemical_formula_sum '[Na4 Mg1 Cu4 O8]'
_cell_volume [250.7847]
_cell_formula_units_Z [1]
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
[
  Na  Na0  1  0.1038  0.4928  0.4493  1.0
  Na  Na1  1  0.1376  0.9822  0.4446  1.0
  Na  Na2  1  0.2837  0.7834  0.0955  1.0
  Na  Na3  1  0.7349  0.1925  0.8270  1.0
  Mg  Mg4  1  0.2887  0.2838  0.1017  1.0
  Cu  Cu5  1  0.2346  0.3783  0.7712  1.0
  Cu  Cu6  1  0.2577  0.8676  0.7728  1.0
  Cu  Cu7  1  0.7089  0.6426  0.2470  1.0
  Cu  Cu8  1  0.7160  0.1404  0.2527  1.0
  O  O9  1  0.1302  0.1836  0.6595  1.0
  O  O10  1  0.1648  0.6722  0.6493  1.0
  O  O11  1  0.3245  0.0926  0.9024  1.0
  O  O12  1  0.3505  0.5404  0.8969  1.0
  O  O13  1  0.4889  0.4385  0.2171  1.0
  O  O14  1  0.4922  0.9741  0.2133  1.0
  O  O15  1  0.9158  0.8329  0.2960  1.0
  O  O16  1  0.9475  0.3234  0.2686  1.0
]