data_[Sm4Sb2Pb1Se1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6601]
_cell_length_b [4.4024]
_cell_length_c [7.6739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2994]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sm4Sb2PbSe]
_chemical_formula_sum '[Sm4 Sb2 Pb1 Se1]'
_cell_volume [244.2412]
_cell_formula_units_Z [1]
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  0.2511  0.0000  0.7445  1
  Sm  Sm1  2  0.2537  0.5000  0.2539  1
  Sb  Sb2  1  0.0000  0.0000  0.0000  1
  Sb  Sb3  1  0.0000  0.5000  0.5000  1
  Pb  Pb4  1  0.5000  0.5000  0.0000  1
  Se  Se5  1  0.5000  0.0000  0.5000  1
]