data_[Y12Tm3Ag3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.3821]
_cell_length_b [8.3821]
_cell_length_c [20.4305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Y4TmAgSe8]
_chemical_formula_sum '[Y12 Tm3 Ag3 Se24]'
_cell_volume [1243.1253]
_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  0.0129  0.5065  0.5017  1.0
  Y  Y1  3  0.0000  0.0000  0.3757  1.0
  Tm  Tm2  3  0.0000  0.0000  0.9949  1.0
  Ag  Ag3  3  0.0000  0.0000  0.6243  1.0
  Se  Se4  9  0.0254  0.5127  0.7517  1.0
  Se  Se5  9  0.1763  0.3527  0.5823  1.0
  Se  Se6  3  0.0000  0.0000  0.2418  1.0
  Se  Se7  3  0.0000  0.0000  0.7563  1.0
]