data_[La8Mn6Sb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mn  1.5500  1.4000  0.6483
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.2678]
_cell_length_b [6.2678]
_cell_length_c [21.3893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [La4Mn3Sb8]
_chemical_formula_sum '[La8 Mn6 Sb16]'
_cell_volume [840.2855]
_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
[
  La  La0  8  0.2494  0.7506  0.8700  1
  Mn  Mn1  4  0.0000  0.5000  0.0000  1
  Mn  Mn2  2  0.0000  0.0000  0.0000  1
  Sb  Sb3  8  0.2481  0.2481  0.4260  1
  Sb  Sb4  4  0.0000  0.0000  0.2501  1
  Sb  Sb5  4  0.0000  0.5000  0.2500  1
]