data_TaMn2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   139.03
_cell_angle_beta   132.47
_cell_angle_gamma   64.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMn2Cu
_chemical_formula_sum   'Ta1 Mn2 Cu1'
_cell_volume   54.49
_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  0.7  0.0  0.08  1.0
  Mn  Mn1  1  0.7  0.0  0.0  1.0
  Mn  Mn2  1  0.0  0.0  0.04  1.0
  Cu  Cu0  1  0.0  0.0  0.18  1.0

data_TaMn2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   3.91
_cell_length_c   4.85
_cell_angle_alpha   113.77
_cell_angle_beta   110.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMn2Cu
_chemical_formula_sum   'Ta1 Mn2 Cu1'
_cell_volume   54.49
_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  0.08  0.39  1.0
  Mn  Mn1  1  0.0  0.0  0.31  1.0
  Mn  Mn2  1  0.0  0.04  0.04  1.0
  Cu  Cu3  1  0.0  0.18  0.18  1.0

Ta Mn Mn Cu