data_[Cs2Lu2P4Se14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Lu  1.2700  1.7500  1.0010
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.4511]
_cell_length_b [10.6775]
_cell_length_c [7.1817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2007]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsLuP2Se7]
_chemical_formula_sum '[Cs2 Lu2 P4 Se14]'
_cell_volume [715.4093]
_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  0.0000  0.8981  0.0000  1
  Lu  Lu1  2  0.0000  0.4956  0.5000  1
  P  P2  4  0.1956  0.1427  0.5882  1
  Se  Se3  4  0.1335  0.3063  0.7449  1
  Se  Se4  4  0.1656  0.5205  0.2108  1
  Se  Se5  4  0.2049  0.6724  0.6659  1
  Se  Se6  2  0.0000  0.0102  0.5000  1
]