data_global
_amcsd_formula_title 'F3 H4 Mn N'
loop_
_publ_author_name
'Rubin J'
'Palacios E'
'Bartolome J'
'Rodriguez-Carvajal J'
_journal_name_full 'Journal of Physics: Condensed Matter'
_journal_volume 7 
_journal_year 1995
_journal_page_first 563
_journal_page_last 575
_publ_section_title
;
 A single-crystal neutron diffraction study of N H4 Mn F3
 _cod_database_code 1006082
;
_database_code_amcsd 0013270
_chemical_formula_sum 'Mn N F3 H3.96'
_cell_length_a 5.952
_cell_length_b 8.543
_cell_length_c 5.949
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 302.494
_exptl_crystal_density_diffrn      2.853
_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
Mn1   0.00000   0.00000   0.00000   1.00000
N1   0.50000   0.25000   0.00000   1.00000
F1   0.27200   0.00840   0.76750   1.00000
F2  -0.01140   0.25000   0.00960   1.00000
H1  -0.04420   0.25000   0.33480   1.04000
H2   0.16560   0.25000   0.52840   1.03700
H3  -0.06510   0.35550   0.57700   0.98000