data_global
_chemical_name_mineral 'Schreibersite'
loop_
_publ_author_name
'Doenitz F D'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 131 
_journal_year 1970
_journal_page_first 222
_journal_page_last 236
_publ_section_title
;
 Die kristallstruktur des meteoritischen rhabdits (Fe,Ni)3P
;
_database_code_amcsd 0010710
_chemical_compound_source 'meteorite of Buei Muerto, Tocopilla, Chile'
_chemical_formula_sum 'Fe2 Ni P'
_cell_length_a 9.040
_cell_length_b 9.040
_cell_length_c 4.462
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 364.642
_exptl_crystal_density_diffrn      7.336
_symmetry_space_group_name_H-M 'I -4'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Fe1   0.07850   0.10810   0.23500   1.00000   0.00507
Fe2   0.36170   0.03240   0.98200   0.66700   0.00507
Ni2   0.36170   0.03240   0.98200   0.33300   0.00507
Fe3   0.16980   0.21990   0.75250   0.33300   0.00507
Ni3   0.16980   0.21990   0.75250   0.66700   0.00507
P   0.29160   0.04810   0.48600   1.00000   0.00507