data_[Yb2Y2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Y  1.2200  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.3890]
_cell_length_b [3.9895]
_cell_length_c [18.4660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [YbYSe3]
_chemical_formula_sum '[Yb2 Y2 Se6]'
_cell_volume [1060.0372]
_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
[
  Yb  Yb0  2  0.2919  0.5000  0.5276  1
  Y  Y1  2  0.0147  0.5000  0.4730  1
  Se  Se2  2  0.1539  0.0000  0.4993  1
  Se  Se3  2  0.4019  0.0000  0.5939  1
  Se  Se4  2  0.4112  0.5000  0.4062  1
]