data_[La4Nd2Mn12Si12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9934]
_cell_length_b [3.9934]
_cell_length_c [31.8578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [La2Nd(MnSi)6]
_chemical_formula_sum '[La4 Nd2 Mn12 Si12]'
_cell_volume [508.0450]
_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  4  0.0000  0.0000  0.3341  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  Mn  Mn2  8  0.0000  0.5000  0.0821  1.0
  Mn  Mn3  4  0.0000  0.5000  0.2500  1.0
  Si  Si4  4  0.0000  0.0000  0.1231  1.0
  Si  Si5  4  0.0000  0.0000  0.2091  1.0
  Si  Si6  4  0.0000  0.0000  0.4591  1.0
]