data_MnGaNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   153.38
_cell_angle_beta   153.38
_cell_angle_gamma   38.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGaNi
_chemical_formula_sum   'Mn1 Ga1 Ni1'
_cell_volume   35.63
_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  0.47  1.0
  Ga  Ga0  1  0.0  0.0  0.01  1.0
  Ni  Ni2  1  0.0  0.0  0.15  1.0

data_MnGaNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.66
_cell_length_b   3.66
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   109.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnGaNi
_chemical_formula_sum   'Mn2 Ga2 Ni2'
_cell_volume   71.26
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.53  1.0
  Ga  Ga1  2  0.0  0.0  0.99  1.0
  Ni  Ni2  2  0.0  0.0  0.85  1.0

Mn Ga Ni
Mn Ga Ni 0 2 o o o 1 2 o o o 