data_MgFe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   2.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   142.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgFe5
_chemical_formula_sum   'Mg1 Fe5'
_cell_volume   75.02
_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
  Mg  Mg5  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.06  0.04  0.48  1.0
  Fe  Fe1  1  0.06  0.99  0.0  1.0
  Fe  Fe2  1  0.06  0.0  0.48  1.0
  Fe  Fe3  1  0.06  0.01  0.0  1.0
  Fe  Fe4  1  0.06  0.96  0.48  1.0

data_MgFe5
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.12
_cell_length_b   2.97
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   108.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MgFe5
_chemical_formula_sum   'Mg1 Fe5'
_cell_volume   75.02
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.5  0.94  1.0
  Fe  Fe2  1  0.01  0.0  0.95  1.0
  Fe  Fe3  1  0.04  0.5  0.98  1.0
  Fe  Fe4  1  0.96  0.5  0.9  1.0
  Fe  Fe5  1  0.99  0.0  0.93  1.0

Mg Fe Fe Fe Fe Fe