data_[Ca4Ag12Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3157]
_cell_length_b [4.6820]
_cell_length_c [7.0989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5275]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaAg3Sn2]
_chemical_formula_sum '[Ca4 Ag12 Sn8]'
_cell_volume [551.7448]
_cell_formula_units_Z [4]
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  0.1172  0.0000  0.1662  1.0
  Ag  Ag1  4  0.0716  0.0000  0.6731  1.0
  Ag  Ag2  4  0.1311  0.5000  0.4988  1.0
  Ag  Ag3  4  0.1943  0.5000  0.9180  1.0
  Sn  Sn4  4  0.0172  0.5000  0.8039  1.0
  Sn  Sn5  4  0.2351  0.0000  0.6707  1.0
]