data_[Sm6Tc4B18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tc  1.9000  1.3500  0.7417
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.1393]
_cell_length_b [8.3269]
_cell_length_c [13.6387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sm3Tc2B9]
_chemical_formula_sum '[Sm6 Tc4 B18]'
_cell_volume [356.5209]
_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  4  0.0000  0.0000  0.2655  1
  Sm  Sm1  2  0.0000  0.0000  0.0000  1
  Tc  Tc2  4  0.0000  0.1707  0.5000  1
  B  B3  8  0.0000  0.2532  0.1238  1
  B  B4  8  0.0000  0.3080  0.3644  1
  B  B5  2  0.0000  0.5000  0.0000  1
]