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 [P2_1/m]
_cell_length_a [5.8702]
_cell_length_b [4.5269]
_cell_length_c [8.3323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5704]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca2SiAg]
_chemical_formula_sum '[Ca4 Si2 Ag2]'
_cell_volume [207.3017]
_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  0.2061  0.7500  0.9284  1.0
  Ca  Ca1  2  0.2231  0.7500  0.4294  1.0
  Si  Si2  2  0.3638  0.2500  0.2130  1.0
  Ag  Ag3  2  0.3776  0.2500  0.7232  1.0
]