data_[Na2Mg2Cu4H4Se4O20]
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
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.3079]
_cell_length_b [6.1522]
_cell_length_c [7.7248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5507]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [NaMgCu2H2(SeO5)2]
_chemical_formula_sum '[Na2 Mg2 Cu4 H4 Se4 O20]'
_cell_volume [445.5861]
_cell_formula_units_Z [2]
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  2  0.0000  0.4915  0.0000  1.0
  Mg  Mg1  2  0.0000  0.2997  0.5000  1.0
  Cu  Cu2  4  0.2041  0.7625  0.4843  1.0
  H  H3  4  0.2276  0.4923  0.7255  1.0
  Se  Se4  4  0.0943  0.9943  0.8160  1.0
  O  O5  4  0.0084  0.2235  0.2380  1.0
  O  O6  4  0.0116  0.7766  0.2210  1.0
  O  O7  4  0.1572  0.0095  0.6420  1.0
  O  O8  4  0.1816  0.4808  0.5842  1.0
  O  O9  4  0.2278  0.0017  0.0287  1.0
]