data_[Mg4Tl2Zn2]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.4958]
_cell_length_b [3.5000]
_cell_length_c [4.9906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9474]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mg2TlZn]
_chemical_formula_sum '[Mg4 Tl2 Zn2]'
_cell_volume [176.2746]
_cell_formula_units_Z [2]
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  0.2559  0.5000  0.2762  1
  Mg  Mg1  2  0.4837  0.5000  0.9508  1
  Tl  Tl2  2  0.0128  0.5000  0.4755  1
  Zn  Zn3  2  0.2477  0.0000  0.7975  1
]