data_MnCuNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   4.29
_cell_angle_alpha   101.66
_cell_angle_beta   101.66
_cell_angle_gamma   34.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCuNi2
_chemical_formula_sum   'Mn1 Cu1 Ni2'
_cell_volume   46.67
_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  0.09  0.0  0.02  1.0
  Cu  Cu0  1  0.78  0.0  0.14  1.0
  Ni  Ni2  1  0.41  0.0  0.0  1.0
  Ni  Ni3  1  0.44  0.0  0.13  1.0

data_MnCuNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   4.29
_cell_length_c   4.42
_cell_angle_alpha   101.66
_cell_angle_beta   107.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCuNi2
_chemical_formula_sum   'Mn1 Cu1 Ni2'
_cell_volume   46.67
_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  Mn0  1  0.0  0.02  0.09  1.0
  Cu  Cu1  1  0.0  0.14  0.78  1.0
  Ni  Ni2  1  0.0  0.0  0.41  1.0
  Ni  Ni3  1  0.0  0.13  0.44  1.0

Mn Cu Ni Ni