data_[Nd4Mn4Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pnma]
_cell_length_a [7.3085]
_cell_length_b [3.9132]
_cell_length_c [10.0986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NdMnSi2]
_chemical_formula_sum '[Nd4 Mn4 Si8]'
_cell_volume [288.8158]
_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
[
  Nd  Nd0  4  0.1374  0.7500  0.1298  1.0
  Mn  Mn1  4  0.0083  0.2500  0.3940  1.0
  Si  Si2  4  0.1690  0.7500  0.8130  1.0
  Si  Si3  4  0.2035  0.7500  0.4314  1.0
]