data_[Ca2Al7Ag1]
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 [P-4m2]
_cell_length_a [4.2866]
_cell_length_b [4.2866]
_cell_length_c [11.4233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ca2Al7Ag]
_chemical_formula_sum '[Ca2 Al7 Ag1]'
_cell_volume [209.9078]
_cell_formula_units_Z [1]
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  0.5000  0.2475  1
  Al  Al1  2  0.0000  0.5000  0.6402  1
  Al  Al2  2  0.0000  0.5000  0.8645  1
  Al  Al3  1  0.0000  0.0000  0.0000  1
  Al  Al4  1  0.0000  0.0000  0.5000  1
  Al  Al5  1  0.5000  0.5000  0.5000  1
  Ag  Ag6  1  0.5000  0.5000  0.0000  1
]