data_MnGaFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   4.34
_cell_angle_alpha   129.87
_cell_angle_beta   129.87
_cell_angle_gamma   73.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGaFe2
_chemical_formula_sum   'Mn1 Ga1 Fe2'
_cell_volume   47.12
_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
  Ga  Ga1  1  0.0  0.0  0.48  1.0
  Fe  Fe2  1  0.84  0.0  0.74  1.0
  Fe  Fe3  1  0.0  0.84  0.74  1.0

data_MnGaFe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   4.34
_cell_angle_alpha   90.0
_cell_angle_beta   126.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnGaFe2
_chemical_formula_sum   'Mn2 Ga2 Fe4'
_cell_volume   94.25
_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  0.0  1.0
  Ga  Ga1  2  0.02  0.5  0.52  1.0
  Fe  Fe2  4  0.18  0.08  0.1  1.0

Mn Ga Fe Fe