data_[Ca4Al4Ag6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0585]
_cell_length_b [4.2844]
_cell_length_c [7.3565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4451]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Al2Ag3]
_chemical_formula_sum '[Ca4 Al4 Ag6]'
_cell_volume [312.0718]
_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  0.1404  0.0000  0.7642  1.0
  Al  Al1  4  0.1377  0.0000  0.2139  1.0
  Ag  Ag2  4  0.1296  0.5000  0.4372  1.0
  Ag  Ag3  2  0.0000  0.5000  0.0000  1.0
]