data_[K2Zr2Nb2Se6]
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
  Nb  1.6000  1.4500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.1497]
_cell_length_b [3.7967]
_cell_length_c [9.9986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1655]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KZrNbSe3]
_chemical_formula_sum '[K2 Zr2 Nb2 Se6]'
_cell_volume [314.3694]
_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  0.2141  0.2500  0.2433  1.0
  Zr  Zr1  2  0.3375  0.7500  0.8590  1.0
  Nb  Nb2  2  0.0859  0.2500  0.6065  1.0
  Se  Se3  2  0.1208  0.2500  0.8747  1.0
  Se  Se4  2  0.2387  0.7500  0.5320  1.0
  Se  Se5  2  0.4580  0.7500  0.1565  1.0
]