data_Mn3Fe9P4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   6.73
_cell_length_c   6.75
_cell_angle_alpha   83.71
_cell_angle_beta   70.92
_cell_angle_gamma   70.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Fe9P4
_chemical_formula_sum   'Mn3 Fe9 P4'
_cell_volume   179.2
_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  0.26  0.16  0.21  1.0
  Mn  Mn1  1  0.26  0.21  0.16  1.0
  Mn  Mn2  1  0.77  0.21  0.2  1.0
  Fe  Fe3  1  0.37  0.17  0.19  1.0
  Fe  Fe4  1  0.36  0.49  0.11  1.0
  Fe  Fe5  1  0.36  0.88  0.27  1.0
  Fe  Fe6  1  0.26  0.11  0.88  1.0
  Fe  Fe7  1  0.68  0.27  0.5  1.0
  Fe  Fe8  1  0.54  0.5  0.07  1.0
  Fe  Fe9  1  0.54  0.88  0.31  1.0
  Fe  Fe10  1  0.49  0.07  0.88  1.0
  Fe  Fe11  1  0.08  0.32  0.49  1.0
  P  P12  1  0.17  0.15  0.58  1.0
  P  P13  1  0.58  0.22  0.8  1.0
  P  P14  1  0.44  0.6  0.24  1.0
  P  P15  1  0.45  0.79  0.15  1.0

data_Mn3Fe9P4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.42
_cell_length_b   6.73
_cell_length_c   6.75
_cell_angle_alpha   83.71
_cell_angle_beta   70.92
_cell_angle_gamma   70.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Fe9P4
_chemical_formula_sum   'Mn3 Fe9 P4'
_cell_volume   179.2
_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  0.26  0.16  0.21  1.0
  Mn  Mn1  1  0.26  0.21  0.16  1.0
  Mn  Mn2  1  0.77  0.21  0.2  1.0
  Fe  Fe3  1  0.08  0.32  0.49  1.0
  Fe  Fe4  1  0.26  0.11  0.88  1.0
  Fe  Fe5  1  0.36  0.49  0.11  1.0
  Fe  Fe6  1  0.36  0.88  0.27  1.0
  Fe  Fe7  1  0.37  0.17  0.19  1.0
  Fe  Fe8  1  0.49  0.07  0.88  1.0
  Fe  Fe9  1  0.54  0.88  0.31  1.0
  Fe  Fe10  1  0.54  0.5  0.07  1.0
  Fe  Fe11  1  0.68  0.27  0.5  1.0
  P  P12  1  0.17  0.15  0.58  1.0
  P  P13  1  0.44  0.6  0.24  1.0
  P  P14  1  0.45  0.79  0.15  1.0
  P  P15  1  0.58  0.22  0.8  1.0

Mn Mn Mn Fe Fe Fe Fe Fe Fe Fe Fe Fe P P P P
Mn Mn Mn Fe Fe Fe Fe Fe Fe Fe Fe Fe P P P P 0 1 o o o 0 3 o o o 0 2 o o o 0 2 - o o 1 2 o o o 1 2 - o o 2 3 o o o 2 8 o o o 2 4 o o o 2 7 o o o 2 6 + o - 4 8 o o o 4 14 o o o 5 15 o o o 5 9 o o o 6 10 o o o 7 13 o o o 7 12 + o o 7 11 + o o 8 14 o o o 10 13 o o o 11 12 o o o 14 15 o o o 