data_[Mn3Fe9P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.8991]
_cell_length_b [3.3995]
_cell_length_c [10.2363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1194]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MnFe3P2]
_chemical_formula_sum '[Mn3 Fe9 P6]'
_cell_volume [205.2794]
_cell_formula_units_Z [3]
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  0.0923  0.5000  0.5031  1.0
  Mn  Mn1  1  0.1989  0.5000  0.2049  1.0
  Mn  Mn2  1  0.5945  0.5000  0.0001  1.0
  Fe  Fe3  1  0.2035  0.5000  0.7936  1.0
  Fe  Fe4  1  0.2545  0.0000  0.9984  1.0
  Fe  Fe5  1  0.3732  0.0000  0.6278  1.0
  Fe  Fe6  1  0.3739  0.0000  0.3731  1.0
  Fe  Fe7  1  0.7004  0.5000  0.7051  1.0
  Fe  Fe8  1  0.7045  0.5000  0.2961  1.0
  Fe  Fe9  1  0.7543  0.0000  0.5013  1.0
  Fe  Fe10  1  0.8723  0.0000  0.8718  1.0
  Fe  Fe11  1  0.8736  0.0000  0.1263  1.0
  P  P12  1  0.0071  0.5000  0.9930  1.0
  P  P13  1  0.4974  0.0000  0.1670  1.0
  P  P14  1  0.4980  0.0000  0.8326  1.0
  P  P15  1  0.5061  0.5000  0.5020  1.0
  P  P16  1  0.9975  0.0000  0.6679  1.0
  P  P17  1  0.9976  0.0000  0.3359  1.0
]