data_[Tl3Ag3As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.2759]
_cell_length_b [9.5488]
_cell_length_c [22.2292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tl3Ag3As4]
_chemical_formula_sum '[Tl3 Ag3 As4]'
_cell_volume [695.3382]
_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
[
  Tl  Tl0  2  0.5000  0.3426  0.5308  1
  Tl  Tl1  1  0.0000  0.0000  0.3848  1
  Ag  Ag2  2  0.0000  0.1457  0.5974  1
  Ag  Ag3  1  0.5000  0.0000  0.6832  1
  As  As4  2  0.5000  0.3232  0.4026  1
  As  As5  1  0.0000  0.5000  0.3580  1
  As  As6  1  0.5000  0.0000  0.5124  1
]