data_[Sm10Ho2Se12]
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 [C2/m]
_cell_length_a [7.2114]
_cell_length_b [12.4614]
_cell_length_c [7.1664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6869]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm5HoSe6]
_chemical_formula_sum '[Sm10 Ho2 Se12]'
_cell_volume [606.3591]
_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  4  0.0000  0.1711  0.5000  1.0
  Sm  Sm1  4  0.0000  0.3327  0.0000  1.0
  Sm  Sm2  2  0.0000  0.5000  0.5000  1.0
  Ho  Ho3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2449  0.1629  0.2452  1.0
  Se  Se5  4  0.2437  0.0000  0.7513  1.0
]