data_MnZn2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55
_cell_length_b   4.74
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   92.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZn2Ga
_chemical_formula_sum   'Mn1 Zn2 Ga1'
_cell_volume   55.24
_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
  Zn  Zn2  1  0.56  0.37  0.46  1.0
  Zn  Zn3  1  0.82  0.37  0.11  1.0
  Ga  Ga0  1  0.19  0.0  0.28  1.0

data_MnZn2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.55
_cell_length_b   4.57
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZn2Ga
_chemical_formula_sum   'Mn1 Zn2 Ga1'
_cell_volume   55.24
_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
  Zn  Zn1  1  0.18  0.89  0.63  1.0
  Zn  Zn2  1  0.44  0.54  0.63  1.0
  Ga  Ga3  1  0.81  0.72  0.0  1.0

Mn Zn Zn Ga
Mn Zn Zn Ga 0 3 o o o 0 2 - o o 1 3 o o o 1 2 o o o 2 3 + o o 