data_[Sm4Ho6Er2Se12]
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
  Er  1.2400  1.7500  1.0300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8402]
_cell_length_b [4.0739]
_cell_length_c [8.2298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5596]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Ho3ErSe6]
_chemical_formula_sum '[Sm4 Ho6 Er2 Se12]'
_cell_volume [581.4604]
_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  0.1687  0.0000  0.3365  1
  Ho  Ho1  4  0.1701  0.0000  0.8332  1
  Ho  Ho2  2  0.0000  0.5000  0.5000  1
  Er  Er3  2  0.0000  0.5000  0.0000  1
  Se  Se4  4  0.0031  0.0000  0.7532  1
  Se  Se5  4  0.1632  0.5000  0.5894  1
  Se  Se6  4  0.1645  0.5000  0.0749  1
]