data_[Cs2Ho2Pb2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ho  1.2300  1.7500  1.0410
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2281]
_cell_length_b [4.2537]
_cell_length_c [12.1119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0402]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsHoPbSe3]
_chemical_formula_sum '[Cs2 Ho2 Pb2 Se6]'
_cell_volume [449.4198]
_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  0.2072  0.2500  0.2399  1.0
  Ho  Ho1  2  0.3708  0.7500  0.8575  1.0
  Pb  Pb2  2  0.1591  0.2500  0.5770  1.0
  Se  Se3  2  0.1390  0.2500  0.8015  1.0
  Se  Se4  2  0.3714  0.7500  0.6152  1.0
  Se  Se5  2  0.4082  0.7500  0.0981  1.0
]