data_[Ca8Ga8Ag24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ga  1.8100  1.3000  0.7600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Pa-3]
_cell_length_a [9.3042]
_cell_length_b [9.3042]
_cell_length_c [9.3042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [205]
_chemical_formula_structural [CaGaAg3]
_chemical_formula_sum '[Ca8 Ga8 Ag24]'
_cell_volume [805.4506]
_cell_formula_units_Z [8]
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  8  0.1061  0.1061  0.1061  1
  Ga  Ga1  8  0.0938  0.5938  0.9062  1
  Ag  Ag2  24  0.0829  0.7427  0.1516  1
]