data_[Nd4Zr6Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Zr  1.3300  1.5500  0.8600
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4326]
_cell_length_b [7.4412]
_cell_length_c [7.2290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1619]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd2Zr3Si4]
_chemical_formula_sum '[Nd4 Zr6 Si8]'
_cell_volume [379.8981]
_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
[
  Nd  Nd0  4  0.1907  0.1705  0.0734  1
  Zr  Zr1  4  0.2543  0.6785  0.2503  1
  Zr  Zr2  2  0.5000  0.0000  0.5000  1
  Si  Si3  4  0.0830  0.5354  0.8752  1
  Si  Si4  4  0.4950  0.1220  0.8720  1
]