data_[K2Ta2In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ta  1.5000  1.4500  0.8200
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [4.1534]
_cell_length_b [4.5605]
_cell_length_c [10.7618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [KTaIn2]
_chemical_formula_sum '[K2 Ta2 In4]'
_cell_volume [203.8481]
_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  0.0000  0.0000  0.5030  1
  Ta  Ta1  2  0.0000  0.5000  0.7887  1
  In  In2  2  0.0000  0.0000  0.9870  1
  In  In3  2  0.0000  0.5000  0.2214  1
]