data_[Cs4Pm8Cu4Te4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pm  1.1300  1.8500  1.1100
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3148]
_cell_length_b [15.0808]
_cell_length_c [15.0332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsPm2CuTeSe3]
_chemical_formula_sum '[Cs4 Pm8 Cu4 Te4 Se12]'
_cell_volume [978.2355]
_cell_formula_units_Z [4]
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  0.1215  0.7500  1
  Pm  Pm1  8  0.0000  0.3663  0.5547  1
  Cu  Cu2  4  0.0000  0.1665  0.2500  1
  Te  Te3  4  0.0000  0.4310  0.7500  1
  Se  Se4  8  0.0000  0.2548  0.1076  1
  Se  Se5  4  0.0000  0.0000  0.0000  1
]