data_[K2Ta2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ta  1.5000  1.4500  0.8200
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.6745]
_cell_length_b [3.4793]
_cell_length_c [11.0857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7762]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [KTaH]
_chemical_formula_sum '[K2 Ta2 H2]'
_cell_volume [141.6588]
_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  1  0.3005  0.0000  0.0140  1
  K  K1  1  0.8183  0.5000  0.4103  1
  Ta  Ta2  1  0.2793  0.0000  0.6726  1
  Ta  Ta3  1  0.7706  0.5000  0.7697  1
  H  H4  1  0.5002  0.5000  0.6157  1
  H  H5  1  0.7932  0.5000  0.9435  1
]