data_[Na4Ca2Cu4H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9973]
_cell_length_b [5.2992]
_cell_length_c [6.1952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0122]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Ca(CuH3)2]
_chemical_formula_sum '[Na4 Ca2 Cu4 H12]'
_cell_volume [269.8140]
_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  4  0.2032  0.5000  0.1608  1.0
  Ca  Ca1  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu2  4  0.0428  0.0000  0.2414  1.0
  H  H3  8  0.0607  0.2559  0.8214  1.0
  H  H4  4  0.2306  0.0000  0.3980  1.0
]