data_[Ca2Al14Ag10]
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 [Imm2]
_cell_length_a [5.5030]
_cell_length_b [9.4012]
_cell_length_c [9.1187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CaAl7Ag5]
_chemical_formula_sum '[Ca2 Al14 Ag10]'
_cell_volume [471.7539]
_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  2  0.0000  0.0000  0.0008  1
  Al  Al1  4  0.0000  0.2857  0.5055  1
  Al  Al2  4  0.0000  0.3546  0.9948  1
  Al  Al3  2  0.0000  0.0000  0.3524  1
  Al  Al4  2  0.0000  0.0000  0.6426  1
  Al  Al5  2  0.0000  0.5000  0.2779  1
  Ag  Ag6  8  0.2491  0.2590  0.2541  1
  Ag  Ag7  2  0.0000  0.5000  0.7094  1
]