data_[Nb2Ni2Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ni  1.9100  1.3500  0.7400
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [2.7068]
_cell_length_b [5.2517]
_cell_length_c [6.6107]
_cell_angle_alpha [78.9394]
_cell_angle_beta [83.5994]
_cell_angle_gamma [78.3399]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NbNiMo]
_chemical_formula_sum '[Nb2 Ni2 Mo2]'
_cell_volume [90.0642]
_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
[
  Nb  Nb0  1  0.1803  0.9769  0.0604  1
  Nb  Nb1  1  0.8591  0.5755  0.4045  1
  Ni  Ni2  1  0.5278  0.4195  0.0934  1
  Ni  Ni3  1  0.6530  0.2514  0.7446  1
  Mo  Mo4  1  0.0075  0.6925  0.7819  1
  Mo  Mo5  1  0.3614  0.0515  0.4502  1
]