data_[Ta2Ag2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ag  1.9300  1.6000  1.0867
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.3116]
_cell_length_b [2.9139]
_cell_length_c [5.3841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9062]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TaAgH]
_chemical_formula_sum '[Ta2 Ag2 H2]'
_cell_volume [78.3538]
_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
[
  Ta  Ta0  2  0.2647  0.2500  0.5168  1
  Ag  Ag1  2  0.2663  0.7500  0.0127  1
  H  H2  2  0.0296  0.7500  0.3450  1
]