data_[Ca3In6Ga3Ag12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8305]
_cell_length_b [4.8305]
_cell_length_c [25.6001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CaIn2GaAg4]
_chemical_formula_sum '[Ca3 In6 Ga3 Ag12]'
_cell_volume [517.3260]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  In  In1  6  0.0000  0.0000  0.2556  1.0
  Ga  Ga2  3  -0.0000  -0.0000  0.5000  1.0
  Ag  Ag3  6  0.0000  0.0000  0.1339  1.0
  Ag  Ag4  6  0.0000  0.0000  0.3935  1.0
]