data_TaNi2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   4.32
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   94.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNi2Mo
_chemical_formula_sum   'Ta1 Ni2 Mo1'
_cell_volume   55.35
_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
  Ta  Ta3  1  0.03  0.16  0.16  1.0
  Ni  Ni1  1  0.97  0.16  0.62  1.0
  Ni  Ni2  1  0.24  0.0  0.31  1.0
  Mo  Mo0  1  0.45  0.0  0.83  1.0

data_TaNi2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.32
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   94.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNi2Mo
_chemical_formula_sum   'Ta1 Ni2 Mo1'
_cell_volume   55.35
_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
  Ta  Ta0  1  0.03  0.16  0.16  1.0
  Ni  Ni1  1  0.24  0.0  0.31  1.0
  Ni  Ni2  1  0.97  0.16  0.62  1.0
  Mo  Mo3  1  0.45  0.0  0.83  1.0

Ta Ni Ni Mo
Ta Ni Ni Mo 0 2 o o o 0 3 o o - 1 3 o o o 1 3 + o o 1 2 + o o 