data_[Cu8Ni48Mo8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.1688]
_cell_length_b [10.1371]
_cell_length_c [10.1558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [CuNi6Mo]
_chemical_formula_sum '[Cu8 Ni48 Mo8]'
_cell_volume [738.0313]
_cell_formula_units_Z [8]
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
[
  Cu  Cu0  4  0.0000  0.0000  0.2529  1
  Cu  Cu1  4  0.0000  0.2500  0.5000  1
  Ni  Ni2  16  0.2491  0.1248  0.1248  1
  Ni  Ni3  16  0.2496  0.3751  0.3749  1
  Ni  Ni4  8  0.0000  0.2502  0.2495  1
  Ni  Ni5  2  0.0000  0.0000  0.0000  1
  Ni  Ni6  2  0.0000  0.0000  0.5000  1
  Ni  Ni7  2  0.0000  0.5000  0.0000  1
  Ni  Ni8  2  0.0000  0.5000  0.5000  1
  Mo  Mo9  4  0.0000  0.2545  0.0000  1
  Mo  Mo10  4  0.0000  0.5000  0.2587  1
]