data_TaMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   4.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   153.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMn2
_chemical_formula_sum   'Ta2 Mn4'
_cell_volume   79.62
_cell_formula_units_Z   2
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  Ta4  1  0.5  0.16  0.17  1.0
  Ta  Ta5  1  0.5  0.84  0.06  1.0
  Mn  Mn0  1  0.5  0.82  0.17  1.0
  Mn  Mn1  1  0.5  0.91  0.06  1.0
  Mn  Mn2  1  0.5  0.09  0.17  1.0
  Mn  Mn3  1  0.5  0.18  0.06  1.0

data_TaMn2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.0
_cell_length_b   4.23
_cell_length_c   6.45
_cell_angle_alpha   90.0
_cell_angle_beta   103.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TaMn2
_chemical_formula_sum   'Ta2 Mn4'
_cell_volume   79.62
_cell_formula_units_Z   2
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  2  0.16  0.44  0.16  1.0
  Mn  Mn1  2  0.09  0.44  0.09  1.0
  Mn  Mn2  2  0.18  0.56  0.18  1.0

Ta Ta Mn Mn Mn Mn