data_[Sm4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2416]
_cell_length_b [4.1322]
_cell_length_c [8.2707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0716]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm2Se3]
_chemical_formula_sum '[Sm4 Se6]'
_cell_volume [280.9574]
_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  0.1160  0.2500  0.2671  1.0
  Sm  Sm1  2  0.3571  0.7500  0.8158  1.0
  Se  Se2  2  0.1215  0.2500  0.8872  1.0
  Se  Se3  2  0.1762  0.7500  0.5167  1.0
  Se  Se4  2  0.3893  0.7500  0.1798  1.0
]