data_[Sm4Ho6Se8]
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 [13.4115]
_cell_length_b [4.0166]
_cell_length_c [9.9247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9783]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Ho3Se4]
_chemical_formula_sum '[Sm4 Ho6 Se8]'
_cell_volume [467.6969]
_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  0.0931  0.5000  0.4060  1
  Ho  Ho1  4  0.1999  0.0000  0.7924  1
  Ho  Ho2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.1065  0.5000  0.9083  1
  Se  Se4  4  0.1950  0.0000  0.2979  1
]