data_[Nd3Si7Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.1004]
_cell_length_b [4.1465]
_cell_length_c [12.6421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5470]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nd3Si7Ni2]
_chemical_formula_sum '[Nd3 Si7 Ni2]'
_cell_volume [212.5616]
_cell_formula_units_Z [1]
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  2  0.1918  0.0000  0.3678  1.0
  Nd  Nd1  1  0.5000  0.5000  0.0000  1.0
  Si  Si2  2  0.0889  0.5000  0.1780  1.0
  Si  Si3  2  0.2754  0.5000  0.5549  1.0
  Si  Si4  2  0.3627  0.0000  0.8228  1.0
  Si  Si5  1  0.0000  0.0000  0.0000  1.0
  Ni  Ni6  2  0.3756  0.5000  0.7421  1.0
]