data_[Mg8Ag8Sb4As4]
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
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [11.0868]
_cell_length_b [4.5675]
_cell_length_c [11.1178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2644]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Mg2Ag2SbAs]
_chemical_formula_sum '[Mg8 Ag8 Sb4 As4]'
_cell_volume [528.1476]
_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  1  0.1097  0.5000  0.1117  1
  Mg  Mg1  1  0.2430  0.0000  0.4866  1
  Mg  Mg2  1  0.3793  0.5000  0.8731  1
  Mg  Mg3  1  0.5099  0.0000  0.2632  1
  Mg  Mg4  1  0.6300  0.5000  0.6346  1
  Mg  Mg5  1  0.7471  0.0000  0.0000  1
  Mg  Mg6  1  0.8740  0.5000  0.3824  1
  Mg  Mg7  1  0.9961  0.0000  0.7454  1
  Ag  Ag8  1  0.1151  0.5000  0.3597  1
  Ag  Ag9  1  0.2576  0.0000  0.7443  1
  Ag  Ag10  1  0.3741  0.5000  0.1278  1
  Ag  Ag11  1  0.5076  0.0000  0.5138  1
  Ag  Ag12  1  0.6270  0.5000  0.8770  1
  Ag  Ag13  1  0.7608  0.0000  0.2595  1
  Ag  Ag14  1  0.8725  0.5000  0.6286  1
  Ag  Ag15  1  0.9883  0.0000  0.9901  1
  Sb  Sb16  1  0.1246  0.5000  0.6187  1
  Sb  Sb17  1  0.2468  0.0000  0.9960  1
  Sb  Sb18  1  0.3779  0.5000  0.3810  1
  Sb  Sb19  1  0.6292  0.5000  0.1309  1
  As  As20  1  0.5074  0.0000  0.7571  1
  As  As21  1  0.7535  0.0000  0.5053  1
  As  As22  1  0.8702  0.5000  0.8722  1
  As  As23  1  0.9983  0.0000  0.2408  1
]