data_global
_amcsd_formula_title 'Ca0.3 Mn Nd0.7 O3'
loop_
_publ_author_name
'Millange F'
'Caignaert V'
'Mather G'
'Suard E'
'Raveau B'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 127 
_journal_year 1996
_journal_page_first 131
_journal_page_last 135
_publ_section_title
;
 Low temperature orthorhombic to monoclinic transition due to size
 effect in Nd0.7Ca0.3-xSrxMnO3: evidence for a new type of charge ordering
 _cod_database_code 1001736
;
_database_code_amcsd 0013906
_chemical_formula_sum '(Nd.7 Ca.3) Mn O3'
_cell_length_a 5.4820
_cell_length_b 7.6475
_cell_length_c 5.4096
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 226.790
_exptl_crystal_density_diffrn      6.324
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Nd1   0.04000   0.25000  -0.00770   0.70000
Ca1   0.04000   0.25000  -0.00770   0.30000
Mn1   0.00000   0.00000   0.50000   1.00000
O1   0.48370   0.25000   0.07520   1.00000
O2   0.29170   0.03930   0.71250   1.00000