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 1006081
;
_database_code_amcsd 0013269
_chemical_formula_sum 'Mn N F3 H4.037'
_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      2.855
_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   0.27180   0.00690   0.76920   1.00000
F2  -0.01520   0.25000   0.02100   1.00000
H1  -0.03650   0.25000   0.34050   0.96250
H2  -0.00750   0.25000   0.67220   0.05000
H3   0.16910   0.25000   0.51380   1.01200
H4  -0.08780   0.33550   0.41200   0.05000
H5  -0.06440   0.35510   0.57710   0.96250