data_[K2Ba1Cr1H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Cr  1.6600  1.4000  0.9400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6610]
_cell_length_b [3.3618]
_cell_length_c [7.0819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9288]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K2BaCrH8]
_chemical_formula_sum '[K2 Ba1 Cr1 H8]'
_cell_volume [157.4238]
_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
[
  K  K0  2  0.4532  0.5000  0.2397  1
  Ba  Ba1  1  0.0000  0.5000  0.5000  1
  Cr  Cr2  1  0.0000  0.0000  0.0000  1
  H  H3  2  0.0340  0.5000  0.1067  1
  H  H4  2  0.0933  0.0000  0.2342  1
  H  H5  2  0.2524  0.0000  0.9533  1
  H  H6  2  0.3032  0.0000  0.5357  1
]