data_[Nd2Ni4Sn1P3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.0681]
_cell_length_b [4.0681]
_cell_length_c [9.8660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Nd2Ni4SnP3]
_chemical_formula_sum '[Nd2 Ni4 Sn1 P3]'
_cell_volume [163.2809]
_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  0.0000  0.5000  0.7693  1.0
  Ni  Ni1  2  0.0000  0.5000  0.3527  1.0
  Ni  Ni2  1  0.0000  0.0000  0.0000  1.0
  Ni  Ni3  1  0.5000  0.5000  0.0000  1.0
  Sn  Sn4  1  0.5000  0.5000  0.5000  1.0
  P  P5  2  0.0000  0.5000  0.1223  1.0
  P  P6  1  0.0000  0.0000  0.5000  1.0
]