data_[Nd2Re2W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Re  1.9000  1.3500  0.7125
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.1075]
_cell_length_b [4.3548]
_cell_length_c [6.4081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5541]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdReW]
_chemical_formula_sum '[Nd2 Re2 W2]'
_cell_volume [141.5968]
_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  2  0.2412  0.2500  0.3774  1
  Re  Re1  2  0.3359  0.7500  0.0381  1
  W  W2  2  0.1326  0.2500  0.8776  1
]