data_[Li4Tl4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7548]
_cell_length_b [4.5982]
_cell_length_c [8.9167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9390]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiTlAs]
_chemical_formula_sum '[Li4 Tl4 As4]'
_cell_volume [296.9565]
_cell_formula_units_Z [4]
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
[
  Li  Li0  4  0.1676  0.0000  0.9062  1.0
  Tl  Tl1  4  0.2429  0.5000  0.6509  1.0
  As  As2  4  0.0114  0.5000  0.1459  1.0
]