data_Er2Fe12P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.89
_cell_length_b   8.89
_cell_length_c   3.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er2Fe12P7
_chemical_formula_sum   'Er2 Fe12 P7'
_cell_volume   247.75
_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
  Er  Er0  1  0.0  0.13  0.0  1.0
  Er  Er1  1  0.45  0.57  0.81  1.0
  Fe  Fe2  1  0.54  0.44  0.0  1.0
  Fe  Fe3  1  0.15  0.11  0.0  1.0
  Fe  Fe4  1  0.75  0.85  0.0  1.0
  Fe  Fe5  1  0.05  0.42  0.0  1.0
  Fe  Fe6  1  0.3  0.51  0.0  1.0
  Fe  Fe7  1  0.54  0.78  0.0  1.0
  Fe  Fe8  1  0.46  0.73  0.81  1.0
  Fe  Fe9  1  0.53  0.9  0.81  1.0
  Fe  Fe10  1  0.48  0.33  0.81  1.0
  Fe  Fe11  1  0.7  0.75  0.81  1.0
  Fe  Fe12  1  0.35  0.07  0.81  1.0
  Fe  Fe13  1  0.82  0.32  0.81  1.0
  P  P14  1  0.74  0.87  0.0  1.0
  P  P15  1  0.33  0.3  0.0  1.0
  P  P16  1  0.27  0.54  0.0  1.0
  P  P17  1  0.0  0.0  0.0  1.0
  P  P18  1  0.21  0.09  0.81  1.0
  P  P19  1  0.17  0.47  0.81  1.0
  P  P20  1  0.62  0.84  0.81  1.0

data_Er2Fe12P7
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   8.89
_cell_length_c   8.89
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er2Fe12P7
_chemical_formula_sum   'Er2 Fe12 P7'
_cell_volume   247.75
_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
  Er  Er0  1  0.0  0.0  0.13  1.0
  Er  Er1  1  0.81  0.45  0.57  1.0
  Fe  Fe2  1  0.0  0.05  0.42  1.0
  Fe  Fe3  1  0.0  0.15  0.11  1.0
  Fe  Fe4  1  0.0  0.3  0.51  1.0
  Fe  Fe5  1  0.0  0.54  0.44  1.0
  Fe  Fe6  1  0.0  0.54  0.78  1.0
  Fe  Fe7  1  0.0  0.75  0.85  1.0
  Fe  Fe8  1  0.81  0.35  0.07  1.0
  Fe  Fe9  1  0.81  0.46  0.73  1.0
  Fe  Fe10  1  0.81  0.48  0.33  1.0
  Fe  Fe11  1  0.81  0.53  0.9  1.0
  Fe  Fe12  1  0.81  0.7  0.75  1.0
  Fe  Fe13  1  0.81  0.82  0.32  1.0
  P  P14  1  0.0  0.0  0.0  1.0
  P  P15  1  0.0  0.27  0.54  1.0
  P  P16  1  0.0  0.33  0.3  1.0
  P  P17  1  0.0  0.74  0.87  1.0
  P  P18  1  0.81  0.17  0.47  1.0
  P  P19  1  0.81  0.21  0.09  1.0
  P  P20  1  0.81  0.62  0.84  1.0

Er Er Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe P P P P P P P
Er Er Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe P P P P P P P 0 17 o o o 1 16 o o + 1 6 o o + 1 8 o o o 2 10 o o - 2 15 o o o 3 18 o o - 3 15 o o o 3 17 o o o 4 14 o o o 4 11 o o - 5 19 o o - 5 13 - o - 6 16 o o o 6 19 o o - 7 8 o o - 7 20 o o - 7 9 o o - 8 9 o o o 9 20 o o o 10 15 o o + 11 14 o o + 12 18 o o o 14 20 o o - 15 18 o o - 16 19 o o - 