data_[Sm2Ho6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.5699]
_cell_length_b [4.1124]
_cell_length_c [11.8566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1289]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm(HoSe2)3]
_chemical_formula_sum '[Sm2 Ho6 Se12]'
_cell_volume [532.9929]
_cell_formula_units_Z [2]
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
[
  Sm  Sm0  2  0.0458  0.7500  0.6942  1.0
  Ho  Ho1  2  0.1591  0.7500  0.0847  1.0
  Ho  Ho2  2  0.3182  0.2500  0.4991  1.0
  Ho  Ho3  2  0.4358  0.7500  0.8330  1.0
  Se  Se4  2  0.0832  0.2500  0.9037  1.0
  Se  Se5  2  0.1146  0.7500  0.4653  1.0
  Se  Se6  2  0.1951  0.2500  0.2503  1.0
  Se  Se7  2  0.2580  0.2500  0.7251  1.0
  Se  Se8  2  0.3946  0.7500  0.0607  1.0
  Se  Se9  2  0.4800  0.7500  0.6145  1.0
]