data_global
_chemical_name_mineral 'Niahite'
loop_
_publ_author_name
'Carling S G'
'Day P'
'Visser D'
_journal_name_full 'Inorganic Chemistry'
_journal_volume 34 
_journal_year 1995
_journal_page_first 3917
_journal_page_last 3927
_publ_section_title
;
 Crystal and magnetic structures of layer transition metal phosphate hydrates
 Sample: T = 21.4 K
 Note: atomic positions from ICSD
;
_database_code_amcsd 0012715
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'N D6 Mn P O5'
_cell_length_a 5.7142
_cell_length_b 8.8255
_cell_length_c 4.8762
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 245.910
_exptl_crystal_density_diffrn      2.593
_symmetry_space_group_name_H-M 'P m n 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,-y,1/2+z'
  '-x,y,z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
N   0.00000   0.52590   0.12240   0.00975
D1   0.00000   0.46400   0.30600   0.02052
D2   0.00000   0.45460  -0.04830   0.01887
D3   0.14850   0.58970   0.12490   0.02774
Mn   0.00000  -0.02100   0.00000   0.00532
P   0.00000   0.19600   0.57680   0.00291
O1   0.00000   0.16740   0.26760   0.00570
O2   0.00000   0.36970   0.62630   0.00557
O3   0.21810   0.12380   0.71640   0.00215
O4   0.00000   0.78470   0.69440   0.01507
D4   0.13120   0.80020   0.57490   0.03040