data_[Tc2Bi1H1Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Bi  2.0200  1.6000  1.0350
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2706]
_cell_length_b [5.2706]
_cell_length_c [5.1170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Tc2BiHPd]
_chemical_formula_sum '[Tc2 Bi1 H1 Pd1]'
_cell_volume [142.1444]
_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
[
  Tc  Tc0  2  0.0000  0.5000  0.0000  1
  Bi  Bi1  1  0.0000  0.0000  0.0000  1
  Pd  Pd2  1  0.0000  0.0000  0.5000  1
  H  H3  1  0.5000  0.5000  0.5000  1
]