data_TaMn2Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   5.17
_cell_angle_alpha   101.72
_cell_angle_beta   101.72
_cell_angle_gamma   41.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMn2Nb
_chemical_formula_sum   'Ta1 Mn2 Nb1'
_cell_volume   59.65
_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  0.41  0.0  0.52  1.0
  Mn  Mn0  1  0.67  0.0  0.27  1.0
  Mn  Mn1  1  0.14  0.0  0.77  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0

data_TaMn2Nb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.24
_cell_length_c   5.17
_cell_angle_alpha   101.72
_cell_angle_beta   90.0
_cell_angle_gamma   110.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMn2Nb
_chemical_formula_sum   'Ta1 Mn2 Nb1'
_cell_volume   59.65
_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  0.59  0.48  1.0
  Mn  Mn1  1  0.0  0.33  0.73  1.0
  Mn  Mn2  1  0.0  0.86  0.23  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0

Ta Mn Mn Nb
Ta Mn Mn Nb 0 2 o o o 0 1 o o o 1 3 + o o 2 3 o o + 