data_[Ca6Ga12Ag10]
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 [Immm]
_cell_length_a [4.4856]
_cell_length_b [9.8871]
_cell_length_c [13.1523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ca3Ga6Ag5]
_chemical_formula_sum '[Ca6 Ga12 Ag10]'
_cell_volume [583.3013]
_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  4  0.0000  0.0000  0.3058  1
  Ca  Ca1  2  0.0000  0.0000  0.0000  1
  Ga  Ga2  8  0.0000  0.2820  0.1266  1
  Ga  Ga3  4  0.0000  0.2027  0.5000  1
  Ag  Ag4  8  0.0000  0.3563  0.3289  1
  Ag  Ag5  2  0.0000  0.5000  0.0000  1
]