data_[Sm1Sb1Se3]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.0176]
_cell_length_b [7.3096]
_cell_length_c [18.7142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [97.5038]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SmSbSe3]
_chemical_formula_sum '[Sm1 Sb1 Se3]'
_cell_volume [544.8704]
_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  1  0.2153  0.8838  0.4994  1
  Sb  Sb1  1  0.5054  0.4719  0.4893  1
  Se  Se2  1  0.6975  0.6978  0.5933  1
  Se  Se3  1  0.7445  0.7196  0.3949  1
  Se  Se4  1  0.7881  0.1735  0.5230  1
]