data_[Cr2Te2Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.3556]
_cell_length_b [3.3556]
_cell_length_c [11.7002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [CrTePd]
_chemical_formula_sum '[Cr2 Te2 Pd2]'
_cell_volume [114.0934]
_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
[
  Cr  Cr0  1  0.0000  0.0000  0.0000  1
  Cr  Cr1  1  0.0000  0.0000  0.5000  1
  Te  Te2  2  0.3333  0.6667  0.3491  1
  Pd  Pd3  2  0.6667  0.3333  0.8483  1
]