data_TaNi2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   2.69
_cell_angle_alpha   91.31
_cell_angle_beta   91.31
_cell_angle_gamma   109.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNi2Mo
_chemical_formula_sum   'Ta1 Ni2 Mo1'
_cell_volume   55.46
_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  0.7  0.0  0.0  1.0
  Ni  Ni1  1  0.3  0.91  0.34  1.0
  Ni  Ni2  1  0.3  0.09  0.34  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0

data_TaNi2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   109.51
_cell_angle_beta   91.31
_cell_angle_gamma   91.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNi2Mo
_chemical_formula_sum   'Ta1 Ni2 Mo1'
_cell_volume   55.46
_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  0.0  0.7  0.0  1.0
  Ni  Ni1  1  0.34  0.3  0.09  1.0
  Ni  Ni2  1  0.34  0.3  0.91  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Ta Ni Ni Mo