data_Ta4Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.21
_cell_length_b   7.21
_cell_length_c   7.21
_cell_angle_alpha   148.82
_cell_angle_beta   148.82
_cell_angle_gamma   44.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta4Mn
_chemical_formula_sum   'Ta4 Mn1'
_cell_volume   100.11
_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  Ta1  1  0.94  0.0  0.33  1.0
  Ta  Ta2  1  0.0  0.0  0.39  1.0
  Ta  Ta3  1  0.0  0.0  0.95  1.0
  Ta  Ta4  1  0.0  0.94  0.33  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0

data_Ta4Mn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   112.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta4Mn
_chemical_formula_sum   'Ta8 Mn2'
_cell_volume   200.23
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.47  0.47  0.6  1.0
  Ta  Ta1  2  0.0  0.0  0.05  1.0
  Ta  Ta2  2  0.0  0.0  0.61  1.0
  Mn  Mn3  2  0.0  0.0  0.0  1.0

Ta Ta Ta Ta Mn
Ta Ta Ta Ta Mn 0 1 + o o 1 3 o - o 2 4 o o + 