data_[Y9Ho12Er3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1086]
_cell_length_b [8.1086]
_cell_length_c [19.9884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Y3Ho4ErSe8]
_chemical_formula_sum '[Y9 Ho12 Er3 Se24]'
_cell_volume [1138.1629]
_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  9  0.0000  0.5000  0.5000  1.0
  Ho  Ho1  9  0.0000  0.5000  0.0000  1.0
  Ho  Ho2  3  0.0000  0.0000  0.0000  1.0
  Er  Er3  3  -0.0000  -0.0000  0.5000  1.0
  Se  Se4  18  0.0022  0.5011  0.2504  1.0
  Se  Se5  6  0.0000  0.0000  0.2509  1.0
]