data_Ta2MnCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.64
_cell_angle_alpha   103.75
_cell_angle_beta   103.75
_cell_angle_gamma   34.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2MnCu
_chemical_formula_sum   'Ta2 Mn1 Cu1'
_cell_volume   60.36
_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  Ta2  1  0.04  0.0  0.37  1.0
  Ta  Ta3  1  0.71  0.0  0.28  1.0
  Mn  Mn1  1  0.34  0.0  0.36  1.0
  Cu  Cu0  1  0.17  0.0  0.21  1.0

data_Ta2MnCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.64
_cell_length_c   4.85
_cell_angle_alpha   103.75
_cell_angle_beta   107.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2MnCu
_chemical_formula_sum   'Ta2 Mn1 Cu1'
_cell_volume   60.36
_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  0.28  0.71  1.0
  Ta  Ta1  1  0.0  0.37  0.04  1.0
  Mn  Mn2  1  0.0  0.36  0.34  1.0
  Cu  Cu3  1  0.0  0.21  0.17  1.0

Ta Ta Mn Cu