data_[Mg2Te2Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.3988]
_cell_length_b [5.6661]
_cell_length_c [7.4045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [MgTePd3]
_chemical_formula_sum '[Mg2 Te2 Pd6]'
_cell_volume [184.5500]
_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
[
  Mg  Mg0  2  0.0000  0.5000  0.6219  1.0
  Te  Te1  2  0.0000  0.0000  0.9285  1.0
  Pd  Pd2  4  0.0000  0.2550  0.2396  1.0
  Pd  Pd3  2  0.0000  0.0000  0.5729  1.0
]