data_[Tl2Ga1Ag1I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.2049]
_cell_length_b [4.7168]
_cell_length_c [8.3871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8477]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tl2GaAgI4]
_chemical_formula_sum '[Tl2 Ga1 Ag1 I4]'
_cell_volume [307.1835]
_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  1  0.0000  0.5000  0.5000  1.0
  Tl  Tl1  1  0.5000  0.0000  0.5000  1.0
  Ga  Ga2  1  0.5000  0.5000  0.0000  1.0
  Ag  Ag3  1  0.0000  0.0000  0.0000  1.0
  I  I4  2  0.2263  0.5000  0.2143  1.0
  I  I5  2  0.2465  0.0000  0.7795  1.0
]