data_global
_amcsd_formula_title 'Mn Nd0.5 O3 Sr0.5'
loop_
_publ_author_name
'Caignaert V'
'Millange F'
'Hervieu M'
'Suard E'
'Raveau B'
_journal_name_full 'Solid State Communications'
_journal_volume 99 
_journal_year 1996
_journal_page_first 173
_journal_page_last 177
_publ_section_title
;
 The manganite Nd0.5 Sr0.5 Mn O3: a rare distortion of the perovskite
 _cod_database_code 1001765
;
_database_code_amcsd 0015489
_chemical_formula_sum '(Nd.5 Sr.5) Mn O3'
_cell_length_a 5.431
_cell_length_b 7.625
_cell_length_c 5.477
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 226.810
_exptl_crystal_density_diffrn      6.410
_symmetry_space_group_name_H-M 'I m m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'x,1/2-y,z'
  '1/2+x,-y,1/2+z'
  '-x,1/2+y,-z'
  '1/2-x,+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,1/2+y,-z'
  '1/2+x,+y,1/2-z'
  '-x,1/2-y,z'
  '1/2-x,-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   0.25000   0.00160   0.50000
Sr1   0.00000   0.25000   0.00160   0.50000
Mn1   0.00000   0.00000   0.50000   1.00000
O1   0.00000   0.25000   0.55340   1.00000
O2   0.25000   0.02680   0.75000   1.00000