data_[Sr6Ga16Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2172]
_cell_length_b [4.5579]
_cell_length_c [9.2521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2640]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3Ga8Pd3]
_chemical_formula_sum '[Sr6 Ga16 Pd6]'
_cell_volume [571.8364]
_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  0.2087  0.5000  0.6976  1
  Sr  Sr1  2  0.0000  0.0000  0.0000  1
  Ga  Ga2  4  0.0055  0.5000  0.6819  1
  Ga  Ga3  4  0.1346  0.0000  0.4207  1
  Ga  Ga4  4  0.1419  0.0000  0.8495  1
  Ga  Ga5  4  0.1543  0.5000  0.2819  1
  Pd  Pd6  4  0.1608  0.5000  0.0024  1
  Pd  Pd7  2  0.0000  0.0000  0.5000  1
]