data_[Sm4B56Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  B  2.0400  0.8500  0.4100
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.8792]
_cell_length_b [10.9715]
_cell_length_c [8.2337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [SmB14Mo]
_chemical_formula_sum '[Sm4 B56 Mo4]'
_cell_volume [531.0986]
_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  0.6255  1
  B  B1  16  0.1602  0.0638  0.8386  1
  B  B2  16  0.2463  0.0769  0.0488  1
  B  B3  8  0.0000  0.0806  0.1703  1
  B  B4  8  0.0000  0.1185  0.3706  1
  B  B5  8  0.0000  0.1676  0.9696  1
  Mo  Mo6  4  0.2500  0.2500  0.2500  1
]