data_Ta2FeCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   35.15
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2FeCo
_chemical_formula_sum   'Ta2 Fe1 Co1'
_cell_volume   57.62
_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  0.01  0.0  0.45  1.0
  Ta  Ta3  1  0.0  0.0  0.75  1.0
  Fe  Fe1  1  0.0  0.0  0.22  1.0
  Co  Co0  1  0.01  0.0  0.5  1.0

data_Ta2FeCo
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.02
_cell_length_b   4.01
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   107.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ta2FeCo
_chemical_formula_sum   'Ta2 Fe1 Co1'
_cell_volume   57.62
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.25  0.0  0.25  1.0
  Ta  Ta1  1  0.55  0.0  0.55  1.0
  Fe  Fe2  1  0.78  0.0  0.78  1.0
  Co  Co3  1  0.5  0.0  0.5  1.0

Ta Ta Fe Co
Ta Ta Fe Co 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 2 3 o o o 