data_MnNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   5.91
_cell_angle_alpha   103.94
_cell_angle_beta   103.94
_cell_angle_gamma   29.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNi
_chemical_formula_sum   'Mn3 Ni3'
_cell_volume   64.65
_cell_formula_units_Z   3
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  0.69  0.0  0.71  1.0
  Mn  Mn1  1  0.17  0.0  0.59  1.0
  Mn  Mn2  1  0.11  0.0  0.82  1.0
  Ni  Ni3  1  0.64  0.0  0.9  1.0
  Ni  Ni4  1  0.6  0.0  0.49  1.0
  Ni  Ni5  1  0.25  0.0  0.41  1.0

data_MnNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.46
_cell_length_b   4.76
_cell_length_c   5.91
_cell_angle_alpha   103.94
_cell_angle_beta   90.0
_cell_angle_gamma   104.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNi
_chemical_formula_sum   'Mn3 Ni3'
_cell_volume   64.65
_cell_formula_units_Z   3
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  0.31  0.29  1.0
  Mn  Mn1  1  0.0  0.83  0.41  1.0
  Mn  Mn2  1  0.0  0.89  0.18  1.0
  Ni  Ni3  1  0.0  0.36  0.1  1.0
  Ni  Ni4  1  0.0  0.4  0.51  1.0
  Ni  Ni5  1  0.0  0.75  0.59  1.0

Mn Mn Mn Ni Ni Ni