data_[Ni9Mo7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [6.7118]
_cell_length_b [6.7118]
_cell_length_c [18.4635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Ni9Mo7]
_chemical_formula_sum '[Ni9 Mo7]'
_cell_volume [720.3225]
_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
[
  Ni  Ni0  6  0.2053  0.4106  0.4080  1
  Ni  Ni1  3  0.0000  0.5000  0.4941  1
  Mo  Mo2  6  0.2046  0.4091  0.5956  1
  Mo  Mo3  1  0.0000  0.0000  0.4966  1
]