data_[K4Ca2Cu4H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [9.9492]
_cell_length_b [5.6965]
_cell_length_c [6.8351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2071]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Ca(CuH3)2]
_chemical_formula_sum '[K4 Ca2 Cu4 H12]'
_cell_volume [344.5228]
_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
[
  K  K0  4  0.2118  0.5000  0.1428  1.0
  Ca  Ca1  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu2  4  0.0782  0.0000  0.2524  1.0
  H  H3  8  0.0069  0.2467  0.7601  1.0
  H  H4  4  0.2470  0.0000  0.2707  1.0
]