data_[Na1Tl4As2]
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/m]
_cell_length_a [4.7179]
_cell_length_b [4.7378]
_cell_length_c [9.6719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0430]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na(Tl2As)2]
_chemical_formula_sum '[Na1 Tl4 As2]'
_cell_volume [210.6163]
_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
[
  Na  Na0  1  0.0000  0.0000  0.0000  1
  Tl  Tl1  2  0.1948  0.5000  0.3380  1
  Tl  Tl2  2  0.3119  0.0000  0.6639  1
  As  As3  2  0.4035  0.5000  0.8703  1
]