data_global
_chemical_name_mineral 'Perovskite group'
loop_
_publ_author_name
'Meyer G'
'Gros Y'
'Bochu B'
'Collomb A'
'Chenavas J'
'Joubert J'
'Marezio M'
_journal_name_full 'Physica Status Solidi'
_journal_volume A48 
_journal_year 1978
_journal_page_first 581
_journal_page_last 586
_publ_section_title
;
 Synthesis, crystal structure, and Mossbauer study of a series of
 perovskite-like compounds (A Cu3) (M, Fe)4 O12
 _cod_database_code 1008788
;
_database_code_amcsd 0016660
_chemical_formula_sum 'Nd Cu3 (Ti3 Fe) O12'
_cell_length_a 7.436
_cell_length_b 7.436
_cell_length_c 7.436
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 411.167
_exptl_crystal_density_diffrn      5.867
_symmetry_space_group_name_H-M 'I m 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'z,x,-y'
  '1/2+z,1/2+x,1/2-y'
  'z,-x,y'
  '1/2+z,1/2-x,1/2+y'
  '-z,x,y'
  '1/2-z,1/2+x,1/2+y'
  '-z,-x,-y'
  '1/2-z,1/2-x,1/2-y'
  'y,-z,-x'
  '1/2+y,1/2-z,1/2-x'
  '-y,-z,x'
  '1/2-y,1/2-z,1/2+x'
  '-y,z,-x'
  '1/2-y,1/2+z,1/2-x'
  'y,z,x'
  '1/2+y,1/2+z,1/2+x'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
  '-z,-x,y'
  '1/2-z,1/2-x,1/2+y'
  '-z,x,-y'
  '1/2-z,1/2+x,1/2-y'
  'z,-x,-y'
  '1/2+z,1/2-x,1/2-y'
  'z,x,y'
  '1/2+z,1/2+x,1/2+y'
  '-y,z,x'
  '1/2-y,1/2+z,1/2+x'
  'y,z,-x'
  '1/2+y,1/2+z,1/2-x'
  'y,-z,x'
  '1/2+y,1/2-z,1/2+x'
  '-y,-z,-x'
  '1/2-y,1/2-z,1/2-x'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Nd1   0.00000   0.00000   0.00000   1.00000
Cu1   0.00000   0.50000   0.50000   1.00000
Ti1   0.25000   0.25000   0.25000   0.75000
Fe1   0.25000   0.25000   0.25000   0.25000
O1   0.30170   0.17780   0.00000   1.00000