data_[Al4Fe6P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1481]
_cell_length_b [6.1238]
_cell_length_c [7.1178]
_cell_angle_alpha [69.1354]
_cell_angle_beta [77.0996]
_cell_angle_gamma [78.1184]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Al2(FeP)3]
_chemical_formula_sum '[Al4 Fe6 P6]'
_cell_volume [202.4108]
_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
[
  Al  Al0  2  0.1688  0.6209  0.7231  1
  Al  Al1  2  0.3827  0.2994  0.0803  1
  Fe  Fe2  2  0.1147  0.9783  0.2436  1
  Fe  Fe3  2  0.1164  0.6822  0.0472  1
  Fe  Fe4  2  0.4622  0.2775  0.5555  1
  P  P5  2  0.2440  0.0536  0.8834  1
  P  P6  2  0.2448  0.0385  0.4951  1
  P  P7  2  0.2714  0.5747  0.3269  1
]