data_Ni5Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   5.95
_cell_angle_alpha   104.77
_cell_angle_beta   104.77
_cell_angle_gamma   30.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni5Mo
_chemical_formula_sum   'Ni5 Mo1'
_cell_volume   69.82
_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  Ni1  1  0.18  0.0  0.6  1.0
  Ni  Ni2  1  0.75  0.0  0.96  1.0
  Ni  Ni3  1  0.53  0.0  0.48  1.0
  Ni  Ni4  1  0.08  0.0  0.81  1.0
  Ni  Ni5  1  0.33  0.0  0.37  1.0
  Mo  Mo0  1  0.03  0.0  0.03  1.0

data_Ni5Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.59
_cell_length_b   4.87
_cell_length_c   5.95
_cell_angle_alpha   104.77
_cell_angle_beta   90.0
_cell_angle_gamma   105.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni5Mo
_chemical_formula_sum   'Ni5 Mo1'
_cell_volume   69.82
_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  1  0.0  0.25  0.04  1.0
  Ni  Ni1  1  0.0  0.47  0.52  1.0
  Ni  Ni2  1  0.0  0.67  0.63  1.0
  Ni  Ni3  1  0.0  0.82  0.4  1.0
  Ni  Ni4  1  0.0  0.92  0.19  1.0
  Mo  Mo5  1  0.0  0.97  0.97  1.0

Ni Ni Ni Ni Ni Mo