data_[K2Zr4In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zr  1.3300  1.5500  0.8600
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.3820]
_cell_length_b [3.1187]
_cell_length_c [7.5513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2464]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KZr2In]
_chemical_formula_sum '[K2 Zr4 In2]'
_cell_volume [243.4725]
_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  0.2559  0.5000  0.2609  1
  Zr  Zr1  2  0.2497  0.0000  0.7775  1
  Zr  Zr2  2  0.4812  0.5000  0.9032  1
  In  In3  2  0.0133  0.5000  0.5584  1
]