data_[Ca2Nb2Si2Te2Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Nb  1.6000  1.4500  0.8200
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.4116]
_cell_length_b [4.4842]
_cell_length_c [7.5001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7580]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CaNbSiTePd]
_chemical_formula_sum '[Ca2 Nb2 Si2 Te2 Pd2]'
_cell_volume [241.0470]
_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
[
  Ca  Ca0  2  0.3987  0.0000  0.8930  1
  Nb  Nb1  2  0.4808  0.5000  0.5340  1
  Si  Si2  2  0.1686  0.5000  0.6391  1
  Te  Te3  2  0.3047  0.5000  0.1602  1
  Pd  Pd4  2  0.2989  0.0000  0.4221  1
]