data_[Ba3Ho12Er3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [R3m]
_cell_length_a [8.5758]
_cell_length_b [8.5758]
_cell_length_c [20.9716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [BaHo4ErSe8]
_chemical_formula_sum '[Ba3 Ho12 Er3 Se24]'
_cell_volume [1335.6947]
_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
[
  Ba  Ba0  3  0.0000  0.0000  0.3752  1
  Ho  Ho1  9  0.1689  0.8311  0.8328  1
  Ho  Ho2  3  0.0000  0.0000  0.6249  1
  Er  Er3  3  0.0000  0.0000  0.0017  1
  Se  Se4  9  0.0475  0.5237  0.7555  1
  Se  Se5  9  0.1766  0.3532  0.5813  1
  Se  Se6  3  0.0000  0.0000  0.2325  1
  Se  Se7  3  0.0000  0.0000  0.7571  1
]