data_[Li2Te2Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4098]
_cell_length_b [4.2187]
_cell_length_c [6.4929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0432]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiTePd3]
_chemical_formula_sum '[Li2 Te2 Pd6]'
_cell_volume [174.6002]
_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
[
  Li  Li0  2  0.2516  0.7500  0.2723  1.0
  Te  Te1  2  0.1905  0.2500  0.8806  1.0
  Pd  Pd2  2  0.0613  0.7500  0.6353  1.0
  Pd  Pd3  2  0.3623  0.2500  0.5354  1.0
  Pd  Pd4  2  0.4766  0.7500  0.8435  1.0
]