data_[Cs4Y4Zr2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Y  1.2200  1.8000  1.0400
  Zr  1.3300  1.5500  0.8600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1255]
_cell_length_b [12.2797]
_cell_length_c [8.9257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9315]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Y2ZrSe6]
_chemical_formula_sum '[Cs4 Y4 Zr2 Se12]'
_cell_volume [750.9891]
_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  4  0.0000  0.1697  0.0000  1.0
  Y  Y1  4  0.0000  0.3329  0.5000  1.0
  Zr  Zr2  2  0.0000  0.0000  0.5000  1.0
  Se  Se3  8  0.2226  0.1584  0.6823  1.0
  Se  Se4  4  0.2442  0.5000  0.6810  1.0
]