data_Er2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   3.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er2Fe
_chemical_formula_sum   'Er4 Fe2'
_cell_volume   148.86
_cell_formula_units_Z   2
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
  Er  Er0  1  0.83  0.83  0.0  1.0
  Er  Er1  1  0.3  0.3  0.0  1.0
  Er  Er2  1  0.9  0.23  0.98  1.0
  Er  Er3  1  0.23  0.9  0.98  1.0
  Fe  Fe4  1  0.0  0.0  0.0  1.0
  Fe  Fe5  1  0.06  0.06  0.98  1.0

data_Er2Fe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.67
_cell_length_b   8.67
_cell_length_c   3.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Er2Fe
_chemical_formula_sum   'Er8 Fe4'
_cell_volume   297.71
_cell_formula_units_Z   4
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
  Er  Er0  4  0.06  0.17  0.98  1.0
  Er  Er1  2  0.3  0.0  0.0  1.0
  Er  Er2  2  0.33  0.5  0.0  1.0
  Fe  Fe3  2  0.0  0.0  0.0  1.0
  Fe  Fe4  2  0.06  0.0  0.98  1.0

Er Er Er Er Fe Fe
Er Er Er Er Fe Fe 0 4 + + o 1 5 o o - 1 3 o - - 1 2 - o - 1 4 o o o 2 4 + o + 2 5 + o o 3 4 o + + 3 5 o + o 4 5 o o - 