data_[Mg5Tl1Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.3691]
_cell_length_b [3.3691]
_cell_length_c [17.4611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Mg5TlAg4]
_chemical_formula_sum '[Mg5 Tl1 Ag4]'
_cell_volume [198.1965]
_cell_formula_units_Z [1]
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  2  0.5000  0.5000  0.1200  1.0
  Mg  Mg1  2  0.5000  0.5000  0.3093  1.0
  Mg  Mg2  1  0.5000  0.5000  0.5000  1.0
  Tl  Tl3  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag4  2  0.0000  0.0000  0.2144  1.0
  Ag  Ag5  2  0.0000  0.0000  0.4045  1.0
]