data_[Mg1Zr1Tl1Zn1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.1915]
_cell_length_b [4.3856]
_cell_length_c [4.4272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [MgZrTlZn]
_chemical_formula_sum '[Mg1 Zr1 Tl1 Zn1]'
_cell_volume [81.3813]
_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  1  0.5000  0.0000  0.5000  1
  Zr  Zr1  1  0.5000  0.5000  0.0000  1
  Tl  Tl2  1  0.0000  0.5000  0.5000  1
  Zn  Zn3  1  0.0000  0.0000  0.0000  1
]