data_[Sm4Tc4B56]
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 [Imma]
_cell_length_a [5.8888]
_cell_length_b [10.8563]
_cell_length_c [8.2700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [SmTcB14]
_chemical_formula_sum '[Sm4 Tc4 B56]'
_cell_volume [528.7081]
_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  0.0000  0.2500  0.6259  1
  Tc  Tc1  4  0.2500  0.2500  0.2500  1
  B  B2  16  0.1617  0.0622  0.8392  1
  B  B3  16  0.2462  0.0778  0.0490  1
  B  B4  8  0.0000  0.0831  0.1687  1
  B  B5  8  0.0000  0.1212  0.3681  1
  B  B6  8  0.0000  0.1667  0.9648  1
]