data_[Mn2Te4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.5507]
_cell_length_b [13.0977]
_cell_length_c [4.6204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1204]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mn(TePd4)2]
_chemical_formula_sum '[Mn2 Te4 Pd16]'
_cell_volume [378.2791]
_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
[
  Mn  Mn0  2  0.0894  0.0000  0.2090  1
  Te  Te1  4  0.0423  0.3407  0.1464  1
  Pd  Pd2  4  0.1206  0.8827  0.7331  1
  Pd  Pd3  4  0.3268  0.3391  0.9528  1
  Pd  Pd4  4  0.3335  0.1970  0.4427  1
  Pd  Pd5  2  0.2691  0.5000  0.5030  1
  Pd  Pd6  2  0.4973  0.0000  0.7347  1
]