data_MnNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   7.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNi2
_chemical_formula_sum   'Mn4 Ni8'
_cell_volume   133.71
_cell_formula_units_Z   4
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  0.63  0.38  1.0
  Mn  Mn1  1  0.0  0.63  0.34  1.0
  Mn  Mn2  1  0.28  0.32  0.09  1.0
  Mn  Mn3  1  0.28  0.32  0.05  1.0
  Ni  Ni4  1  0.0  0.0  0.0  1.0
  Ni  Ni5  1  0.0  0.0  0.71  1.0
  Ni  Ni6  1  0.0  0.34  0.57  1.0
  Ni  Ni7  1  0.89  0.28  0.57  1.0
  Ni  Ni8  1  0.16  0.67  0.86  1.0
  Ni  Ni9  1  0.11  0.28  0.57  1.0
  Ni  Ni10  1  0.39  0.67  0.86  1.0
  Ni  Ni11  1  0.28  0.6  0.86  1.0

data_MnNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   7.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNi2
_chemical_formula_sum   'Mn4 Ni8'
_cell_volume   133.71
_cell_formula_units_Z   4
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  0.63  0.34  1.0
  Mn  Mn1  1  -0.0  0.63  0.38  1.0
  Mn  Mn2  1  0.28  0.32  0.05  1.0
  Mn  Mn3  1  0.28  0.32  0.09  1.0
  Ni  Ni4  1  -0.0  0.34  0.57  1.0
  Ni  Ni5  1  0.0  0.0  0.0  1.0
  Ni  Ni6  1  0.0  0.0  0.71  1.0
  Ni  Ni7  1  0.11  0.28  0.57  1.0
  Ni  Ni8  1  0.16  0.67  0.86  1.0
  Ni  Ni9  1  0.28  0.6  0.86  1.0
  Ni  Ni10  1  0.39  0.67  0.86  1.0
  Ni  Ni11  1  0.89  0.28  0.57  1.0

Mn Mn Mn Mn Ni Ni Ni Ni Ni Ni Ni Ni