data_[K3Tl7In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.2076]
_cell_length_b [5.1628]
_cell_length_c [16.2987]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9032]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K3Tl7In2]
_chemical_formula_sum '[K3 Tl7 In2]'
_cell_volume [432.9224]
_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
[
  K  K0  2  0.1804  0.0000  0.3538  1.0
  K  K1  1  0.5000  0.5000  0.0000  1.0
  Tl  Tl2  2  0.0771  0.5000  0.1550  1.0
  Tl  Tl3  2  0.2724  0.5000  0.5503  1.0
  Tl  Tl4  2  0.4225  0.0000  0.8467  1.0
  Tl  Tl5  1  0.0000  0.0000  0.0000  1.0
  In  In6  2  0.3610  0.5000  0.7347  1.0
]