data_[Sm8Ho2Se14]
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 [Cm]
_cell_length_a [13.6219]
_cell_length_b [4.0404]
_cell_length_c [12.3552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7478]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sm4HoSe7]
_chemical_formula_sum '[Sm8 Ho2 Se14]'
_cell_volume [657.6032]
_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  0.1123  0.0000  0.4240  1
  Sm  Sm1  2  0.1995  0.5000  0.8095  1
  Sm  Sm2  2  0.3005  0.0000  0.1906  1
  Sm  Sm3  2  0.4996  0.5000  0.9981  1
  Ho  Ho4  2  0.3870  0.5000  0.5774  1
  Se  Se5  2  0.0380  0.0000  0.7802  1
  Se  Se6  2  0.1603  0.5000  0.0504  1
  Se  Se7  2  0.2429  0.5000  0.3549  1
  Se  Se8  2  0.2640  0.0000  0.6479  1
  Se  Se9  2  0.3387  0.0000  0.9491  1
  Se  Se10  2  0.4606  0.5000  0.2155  1
  Se  Se11  2  0.4966  0.0000  0.5024  1
]