data_[K2Mg2Tl4In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [6.1074]
_cell_length_b [7.4865]
_cell_length_c [7.0876]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [KMgTl2In]
_chemical_formula_sum '[K2 Mg2 Tl4 In2]'
_cell_volume [324.0662]
_cell_formula_units_Z [2]
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  0.2500  0.5000  0.1995  1.0
  Mg  Mg1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.2500  0.2505  0.7000  1.0
  In  In3  2  0.2500  0.0000  0.3630  1.0
]