data_Ta3Mn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   4.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Mn4
_chemical_formula_sum   'Ta3 Mn4'
_cell_volume   112.1
_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  Ta4  1  0.67  0.0  0.27  1.0
  Ta  Ta5  1  0.66  0.31  0.27  1.0
  Ta  Ta6  1  0.34  0.31  0.27  1.0
  Mn  Mn0  1  0.0  0.0  0.43  1.0
  Mn  Mn1  1  0.0  0.0  0.1  1.0
  Mn  Mn2  1  0.0  0.09  0.0  1.0
  Mn  Mn3  1  0.67  0.54  0.0  1.0

data_Ta3Mn4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.53
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Mn4
_chemical_formula_sum   'Ta3 Mn4'
_cell_volume   112.1
_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  0.27  0.34  0.31  1.0
  Ta  Ta1  1  0.27  0.66  0.31  1.0
  Ta  Ta2  1  0.27  0.67  0.0  1.0
  Mn  Mn3  1  0.0  0.0  0.09  1.0
  Mn  Mn4  1  0.0  0.67  0.54  1.0
  Mn  Mn5  1  0.1  0.0  0.0  1.0
  Mn  Mn6  1  0.43  0.0  0.0  1.0

Ta Ta Ta Mn Mn Mn Mn