data_[Fe1Si15Ge13P3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5749]
_cell_length_b [7.8224]
_cell_length_c [15.6295]
_cell_angle_alpha [89.9669]
_cell_angle_beta [89.4064]
_cell_angle_gamma [89.7441]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [FeSi15Ge13P3]
_chemical_formula_sum '[Fe1 Si15 Ge13 P3]'
_cell_volume [681.5453]
_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
[
  Fe  Fe0  1  0.9885  0.9971  0.7583  1
  Si  Si1  1  0.0059  0.5014  0.2524  1
  Si  Si2  1  0.2475  0.4985  0.8723  1
  Si  Si3  1  0.2485  0.0056  0.3807  1
  Si  Si4  1  0.2497  0.4965  0.3753  1
  Si  Si5  1  0.2626  0.9942  0.8615  1
  Si  Si6  1  0.4863  0.2564  0.6286  1
  Si  Si7  1  0.4911  0.2496  0.8736  1
  Si  Si8  1  0.4968  0.2509  0.3780  1
  Si  Si9  1  0.4978  0.7427  0.8728  1
  Si  Si10  1  0.7294  0.2527  0.5039  1
  Si  Si11  1  0.7456  0.7453  0.9937  1
  Si  Si12  1  0.7488  0.7494  0.5035  1
  Si  Si13  1  0.7577  0.2534  0.9895  1
  Si  Si14  1  0.7702  0.7574  0.7550  1
  Si  Si15  1  0.9941  0.5001  0.7507  1
  Ge  Ge16  1  0.0082  0.9955  0.9871  1
  Ge  Ge17  1  0.0175  0.9997  0.2519  1
  Ge  Ge18  1  0.2306  0.0061  0.6396  1
  Ge  Ge19  1  0.2479  0.5018  0.1212  1
  Ge  Ge20  1  0.2592  0.9987  0.1184  1
  Ge  Ge21  1  0.4919  0.7500  0.3800  1
  Ge  Ge22  1  0.5043  0.7518  0.6327  1
  Ge  Ge23  1  0.5241  0.2513  0.1186  1
  Ge  Ge24  1  0.7511  0.7498  0.2502  1
  Ge  Ge25  1  0.7527  0.2422  0.7486  1
  Ge  Ge26  1  0.7548  0.2532  0.2520  1
  Ge  Ge27  1  0.9895  0.0041  0.5061  1
  Ge  Ge28  1  0.9951  0.4964  0.5021  1
  P  P29  1  0.2439  0.4993  0.6294  1
  P  P30  1  0.5177  0.7476  0.1195  1
  P  P31  1  0.9909  0.5011  0.9926  1
]