data_[Ba2Ta2H2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ta  1.5000  1.4500  0.8200
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8965]
_cell_length_b [3.2588]
_cell_length_c [7.0609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6225]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaTaHN2]
_chemical_formula_sum '[Ba2 Ta2 H2 N4]'
_cell_volume [153.5462]
_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
[
  Ba  Ba0  2  0.2915  0.2500  0.6913  1.0
  Ta  Ta1  2  0.1668  0.7500  0.1534  1.0
  H  H2  2  0.1250  0.7500  0.4190  1.0
  N  N3  2  0.0701  0.7500  0.8661  1.0
  N  N4  2  0.3501  0.2500  0.2116  1.0
]