data_Mn3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   3.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Ni5
_chemical_formula_sum   'Mn3 Ni5'
_cell_volume   89.76
_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
  Mn  Mn1  1  0.55  0.77  0.77  1.0
  Mn  Mn2  1  0.55  0.23  0.77  1.0
  Ni  Ni3  1  0.55  0.0  0.0  1.0
  Ni  Ni4  1  0.78  0.78  0.0  1.0
  Ni  Ni5  1  0.78  0.22  0.0  1.0
  Ni  Ni6  1  0.76  0.0  0.77  1.0
  Ni  Ni7  1  0.35  0.0  0.77  1.0

data_Mn3Ni5
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.54
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Mn3Ni5
_chemical_formula_sum   'Mn3 Ni5'
_cell_volume   89.77
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.77  0.23  0.55  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  2  0.0  0.22  0.78  1.0
  Ni  Ni3  1  0.0  0.0  0.55  1.0
  Ni  Ni4  1  0.77  0.0  0.35  1.0
  Ni  Ni5  1  0.77  0.0  0.76  1.0

Mn Mn Mn Ni Ni Ni Ni Ni