data_TaMnFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.64
_cell_length_b   4.07
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   101.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMnFe2
_chemical_formula_sum   'Ta1 Mn1 Fe2'
_cell_volume   52.1
_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  0.95  0.04  0.64  1.0
  Mn  Mn2  1  0.88  0.0  0.34  1.0
  Fe  Fe0  1  0.6  0.0  0.08  1.0
  Fe  Fe1  1  0.75  0.04  0.21  1.0

data_TaMnFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   4.07
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   101.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMnFe2
_chemical_formula_sum   'Ta1 Mn1 Fe2'
_cell_volume   52.1
_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  0.95  0.04  0.64  1.0
  Mn  Mn1  1  0.88  0.0  0.34  1.0
  Fe  Fe2  1  0.6  0.0  0.08  1.0
  Fe  Fe3  1  0.75  0.04  0.21  1.0

Ta Mn Fe Fe