data_[K2Ca2Cu2H8]
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 [P2_1/m]
_cell_length_a [5.2511]
_cell_length_b [5.3291]
_cell_length_c [7.4771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4601]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KCaCuH4]
_chemical_formula_sum '[K2 Ca2 Cu2 H8]'
_cell_volume [207.9080]
_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  2  0.2363  0.2500  0.8964  1.0
  Ca  Ca1  2  0.2816  0.7500  0.5208  1.0
  Cu  Cu2  2  0.2015  0.2500  0.3148  1.0
  H  H3  4  0.3870  0.0107  0.2824  1.0
  H  H4  2  0.0826  0.7500  0.7945  1.0
  H  H5  2  0.1859  0.2500  0.5331  1.0
]