data_[Sr4Yb4Cu4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Yb  1.1000  1.7500  1.0840
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.4911]
_cell_length_b [4.1900]
_cell_length_c [12.1963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SrYbCuSe3]
_chemical_formula_sum '[Sr4 Yb4 Cu4 Se12]'
_cell_volume [587.2278]
_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
[
  Sr  Sr0  4  0.1864  0.7500  0.5017  1
  Yb  Yb1  4  0.0090  0.7500  0.8107  1
  Cu  Cu2  4  0.2465  0.2500  0.7112  1
  Se  Se3  4  0.0485  0.2500  0.6405  1
  Se  Se4  4  0.1109  0.7500  0.0621  1
  Se  Se5  4  0.2245  0.2500  0.3050  1
]