data_[Y3Er6Sc3Se18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.0760]
_cell_length_b [7.0760]
_cell_length_c [19.1909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [YEr2ScSe6]
_chemical_formula_sum '[Y3 Er6 Sc3 Se18]'
_cell_volume [832.1403]
_cell_formula_units_Z [3]
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
[
  Y  Y0  3  0.0000  0.0000  0.8187  1.0
  Er  Er1  3  0.0000  0.0000  0.0127  1.0
  Er  Er2  3  0.0000  0.0000  0.5153  1.0
  Sc  Sc3  3  0.0000  0.0000  0.3220  1.0
  Se  Se4  9  0.0011  0.7002  0.4142  1.0
  Se  Se5  9  0.0117  0.3609  0.5835  1.0
]