data_[Ba2Te2Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.8215]
_cell_length_b [6.0989]
_cell_length_c [7.0026]
_cell_angle_alpha [91.7374]
_cell_angle_beta [97.0512]
_cell_angle_gamma [102.1951]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BaTePd]
_chemical_formula_sum '[Ba2 Te2 Pd2]'
_cell_volume [199.4123]
_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  1  0.6157  0.6810  0.9937  1
  Ba  Ba1  1  0.8930  0.2217  0.4660  1
  Te  Te2  1  0.1992  0.1240  0.9630  1
  Te  Te3  1  0.5177  0.6484  0.5016  1
  Pd  Pd4  1  0.0919  0.8079  0.6507  1
  Pd  Pd5  1  0.2496  0.9009  0.2749  1
]