data_[Sm4C4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5877]
_cell_length_b [3.7888]
_cell_length_c [8.0305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3984]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmCSe]
_chemical_formula_sum '[Sm4 C4 Se4]'
_cell_volume [295.6490]
_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  0.0427  0.0000  0.3044  1
  C  C1  4  0.0205  0.5000  0.0849  1
  Se  Se2  4  0.1643  0.5000  0.6329  1
]