data_[Mg12Ag24Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.6557]
_cell_length_b [16.1165]
_cell_length_c [5.0845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Mg3Ag6Sn]
_chemical_formula_sum '[Mg12 Ag24 Sn4]'
_cell_volume [791.2205]
_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
[
  Mg  Mg0  8  0.1686  0.0932  0.4720  1
  Mg  Mg1  4  0.0000  0.4032  0.0654  1
  Ag  Ag2  8  0.1602  0.4503  0.5245  1
  Ag  Ag3  8  0.2486  0.2095  0.8445  1
  Ag  Ag4  4  0.0000  0.0491  0.9634  1
  Ag  Ag5  4  0.0000  0.2958  0.6373  1
  Sn  Sn6  4  0.0000  0.2138  0.1372  1
]