data_[K2Zr2In2]
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 [P2_1/m]
_cell_length_a [3.3895]
_cell_length_b [4.2281]
_cell_length_c [13.8014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2513]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KZrIn]
_chemical_formula_sum '[K2 Zr2 In2]'
_cell_volume [197.7439]
_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  0.2820  0.2500  0.3517  1
  Zr  Zr1  2  0.2557  0.2500  0.0619  1
  In  In2  2  0.2343  0.2500  0.8307  1
]