data_[Cs2Zr2Co2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zr  1.3300  1.5500  0.8600
  Co  1.8800  1.3500  0.7683
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.6445]
_cell_length_b [3.8515]
_cell_length_c [10.1258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2759]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsZrCoSe3]
_chemical_formula_sum '[Cs2 Zr2 Co2 Se6]'
_cell_volume [334.3136]
_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
[
  Cs  Cs0  2  0.2283  0.2500  0.2476  1.0
  Zr  Zr1  2  0.3099  0.7500  0.8339  1.0
  Co  Co2  2  0.0834  0.2500  0.5957  1.0
  Se  Se3  2  0.1228  0.2500  0.8516  1.0
  Se  Se4  2  0.1977  0.7500  0.5369  1.0
  Se  Se5  2  0.4758  0.7500  0.1446  1.0
]