data_Ta2FeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   144.51
_cell_angle_beta   130.35
_cell_angle_gamma   62.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2FeMo
_chemical_formula_sum   'Ta2 Fe1 Mo1'
_cell_volume   63.09
_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  Ta2  1  0.0  0.0  0.92  1.0
  Ta  Ta3  1  0.6  0.0  0.3  1.0
  Fe  Fe0  1  0.0  0.0  0.48  1.0
  Mo  Mo1  1  0.0  0.2  0.23  1.0

data_Ta2FeMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.4
_cell_length_c   5.24
_cell_angle_alpha   114.82
_cell_angle_beta   107.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2FeMo
_chemical_formula_sum   'Ta2 Fe1 Mo1'
_cell_volume   63.09
_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  0.3  0.7  1.0
  Ta  Ta1  1  0.0  0.92  0.92  1.0
  Fe  Fe2  1  0.0  0.48  0.48  1.0
  Mo  Mo3  1  0.8  0.02  0.02  1.0

Ta Ta Fe Mo