data_[Y3Re12Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Re  1.9000  1.3500  0.7125
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4367]
_cell_length_b [7.4367]
_cell_length_c [18.7766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Y(ReSe2)4]
_chemical_formula_sum '[Y3 Re12 Se24]'
_cell_volume [899.3205]
_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  0.5000  1
  Re  Re1  9  0.0000  0.5000  0.0000  1
  Re  Re2  3  0.0000  0.0000  0.0000  1
  Se  Se3  18  0.0084  0.5042  0.7416  1
  Se  Se4  6  0.0000  0.0000  0.2585  1
]