data_[Sm12Ag4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.1684]
_cell_length_b [3.9983]
_cell_length_c [15.7198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sm3AgSe]
_chemical_formula_sum '[Sm12 Ag4 Se4]'
_cell_volume [576.2599]
_cell_formula_units_Z [4]
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  0.0165  0.7500  0.3912  1
  Sm  Sm1  4  0.1530  0.7500  0.9478  1
  Sm  Sm2  4  0.1790  0.2500  0.2139  1
  Ag  Ag3  4  0.0976  0.2500  0.8031  1
  Se  Se4  4  0.1888  0.7500  0.5473  1
]