data_[Sm4As2Pb1Se1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  As  2.1800  1.1500  0.6600
  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 [7.4476]
_cell_length_b [4.2124]
_cell_length_c [7.4880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7501]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sm4As2PbSe]
_chemical_formula_sum '[Sm4 As2 Pb1 Se1]'
_cell_volume [222.4492]
_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  0.2372  0.0000  0.7330  1.0
  Sm  Sm1  2  0.2517  0.5000  0.2638  1.0
  As  As2  1  0.0000  0.5000  0.5000  1.0
  As  As3  1  0.5000  0.0000  0.5000  1.0
  Pb  Pb4  1  0.5000  0.5000  0.0000  1.0
  Se  Se5  1  0.0000  0.0000  0.0000  1.0
]