data_[K2Zr2H2Se4]
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
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.4119]
_cell_length_b [3.8977]
_cell_length_c [9.0848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2182]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KZrHSe2]
_chemical_formula_sum '[K2 Zr2 H2 Se4]'
_cell_volume [249.2944]
_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  0.3346  0.2500  0.7065  1
  Zr  Zr1  2  0.1579  0.2500  0.1800  1
  H  H2  2  0.4302  0.2500  0.2321  1
  Se  Se3  2  0.1696  0.7500  0.3799  1
  Se  Se4  2  0.2188  0.7500  0.9835  1
]