data_[Sr1Nd1Mg1Tl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.0184]
_cell_length_b [4.0184]
_cell_length_c [8.0469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [SrNdMgTl]
_chemical_formula_sum '[Sr1 Nd1 Mg1 Tl1]'
_cell_volume [129.9361]
_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
[
  Sr  Sr0  1  0.0000  0.0000  0.8602  1.0
  Nd  Nd1  1  0.0000  0.0000  0.3555  1.0
  Mg  Mg2  1  0.5000  0.5000  0.5843  1.0
  Tl  Tl3  1  0.5000  0.5000  0.1280  1.0
]