data_[Sr4Te2P2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.7811]
_cell_length_b [9.1069]
_cell_length_c [8.1969]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Sr2TePPd6]
_chemical_formula_sum '[Sr4 Te2 P2 Pd12]'
_cell_volume [431.5493]
_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
[
  Sr  Sr0  4  0.0000  0.2379  0.2701  1.0
  Te  Te1  2  0.0000  0.5000  0.7156  1.0
  P  P2  2  0.0000  0.0000  0.7739  1.0
  Pd  Pd3  4  0.0000  0.2446  0.8804  1.0
  Pd  Pd4  4  0.2401  0.0000  0.5479  1.0
  Pd  Pd5  4  0.2439  0.5000  0.0052  1.0
]