data_MnNbCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.18
_cell_length_c   2.74
_cell_angle_alpha   78.09
_cell_angle_beta   76.35
_cell_angle_gamma   25.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNbCu
_chemical_formula_sum   'Mn1 Nb1 Cu1'
_cell_volume   44.26
_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
  Mn  Mn1  1  0.87  0.01  0.76  1.0
  Nb  Nb2  1  0.87  0.01  0.93  1.0
  Cu  Cu0  1  0.87  0.01  0.1  1.0

data_MnNbCu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.74
_cell_length_b   11.78
_cell_length_c   2.74
_cell_angle_alpha   90.0
_cell_angle_beta   132.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnNbCu
_chemical_formula_sum   'Mn2 Nb2 Cu2'
_cell_volume   88.52
_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
  Mn  Mn0  2  0.26  0.5  0.63  1.0
  Nb  Nb1  2  0.43  0.5  0.8  1.0
  Cu  Cu2  2  0.1  0.0  0.97  1.0

Mn Nb Cu