data_[Te1H1Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [4.0169]
_cell_length_b [4.1598]
_cell_length_c [6.0248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7786]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [TeHPd4]
_chemical_formula_sum '[Te1 H1 Pd4]'
_cell_volume [95.3118]
_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
[
  Te  Te0  1  0.5000  0.5360  0.5000  1.0
  Pd  Pd1  2  0.1603  0.5281  0.8217  1.0
  Pd  Pd2  2  0.3625  0.0387  0.2001  1.0
  H  H3  1  0.0000  0.8227  0.0000  1.0
]