data_[Mn16Sn16Sb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Sn  1.9600  1.4500  0.8300
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.3690]
_cell_length_b [9.5925]
_cell_length_c [19.2813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [MnSnSb]
_chemical_formula_sum '[Mn16 Sn16 Sb16]'
_cell_volume [993.0199]
_cell_formula_units_Z [16]
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
[
  Mn  Mn0  16  0.0000  0.0000  0.3728  1.0
  Sn  Sn1  16  0.0000  0.1661  0.5000  1.0
  Sb  Sb2  16  0.0000  0.0000  0.0801  1.0
]