data_MnCuNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   4.41
_cell_angle_alpha   100.84
_cell_angle_beta   100.84
_cell_angle_gamma   35.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCuNi2
_chemical_formula_sum   'Mn1 Cu1 Ni2'
_cell_volume   47.19
_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  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.72  0.0  0.16  1.0
  Ni  Ni2  1  0.01  0.0  0.1  1.0
  Ni  Ni3  1  0.43  0.0  0.23  1.0

data_MnCuNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   4.36
_cell_length_c   4.41
_cell_angle_alpha   100.84
_cell_angle_beta   90.0
_cell_angle_gamma   107.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCuNi2
_chemical_formula_sum   'Mn1 Cu1 Ni2'
_cell_volume   47.19
_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  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.28  0.84  1.0
  Ni  Ni2  1  0.0  0.57  0.77  1.0
  Ni  Ni3  1  0.0  0.99  0.9  1.0

Mn Cu Ni Ni
Mn Cu Ni Ni 0 2 o o o 0 1 - o o 1 3 o o o 1 2 + o o 