data_[Na4Tl2As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4622]
_cell_length_b [4.5815]
_cell_length_c [7.9226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2512]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Na2TlAs]
_chemical_formula_sum '[Na4 Tl2 As2]'
_cell_volume [217.0957]
_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
[
  Na  Na0  2  0.2944  0.2500  0.4363  1.0
  Na  Na1  2  0.3570  0.7500  0.0883  1.0
  Tl  Tl2  2  0.0649  0.2500  0.7492  1.0
  As  As3  2  0.3309  0.7500  0.6984  1.0
]