data_[Sr4Ca2Ag6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.4662]
_cell_length_b [5.4662]
_cell_length_c [13.3602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Sr2CaAg3]
_chemical_formula_sum '[Sr4 Ca2 Ag6]'
_cell_volume [345.7074]
_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  2  0.3333  0.6667  0.1708  1
  Sr  Sr1  1  0.0000  0.0000  0.0000  1
  Sr  Sr2  1  0.0000  0.0000  0.5000  1
  Ca  Ca3  2  0.3333  0.6667  0.6647  1
  Ag  Ag4  2  0.0000  0.0000  0.2547  1
  Ag  Ag5  2  0.3333  0.6667  0.4185  1
  Ag  Ag6  2  0.3333  0.6667  0.9097  1
]