data_[Ca4Si2Ag2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Si  1.9000  1.1000  0.5400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.5177]
_cell_length_b [4.0028]
_cell_length_c [11.2476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ca2SiAg]
_chemical_formula_sum '[Ca4 Si2 Ag2]'
_cell_volume [203.3971]
_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  0.6422  1
  Ca  Ca1  2  0.5000  0.0000  0.3535  1
  Si  Si2  2  0.5000  0.0000  0.0683  1
  Ag  Ag3  2  0.0000  0.0000  0.9360  1
]