data_[Mg4Ag8B4]
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
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2071]
_cell_length_b [6.2071]
_cell_length_c [6.2071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [MgAg2B]
_chemical_formula_sum '[Mg4 Ag8 B4]'
_cell_volume [239.1535]
_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  4  0.0000  0.0000  0.5000  1
  Ag  Ag1  8  0.2500  0.2500  0.2500  1
  B  B2  4  0.0000  0.0000  0.0000  1
]