data_[K2Zr2Ni2Se6]
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
  Ni  1.9100  1.3500  0.7400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.9692]
_cell_length_b [3.8464]
_cell_length_c [9.5690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1361]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KZrNiSe3]
_chemical_formula_sum '[K2 Zr2 Ni2 Se6]'
_cell_volume [303.5689]
_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  0.2212  0.7500  0.2451  1
  Zr  Zr1  2  0.3071  0.2500  0.8332  1
  Ni  Ni2  2  0.0896  0.7500  0.5967  1
  Se  Se3  2  0.1103  0.7500  0.8581  1
  Se  Se4  2  0.2031  0.2500  0.5290  1
  Se  Se5  2  0.4672  0.2500  0.1524  1
]