data_global
_chemical_name_mineral 'Maucherite'
loop_
_publ_author_name
'Makovicky E'
'Merlino S'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 21 
_journal_year 2009
_journal_page_first 855
_journal_page_last 862
_publ_section_title
;
 OD (order-disorder) character of the crystal structure of maucherite Ni8As11
 Note: maucherite-2M polytype
;
_database_code_amcsd 0007325
_chemical_compound_source 'modelled structure, not experimental'
_chemical_formula_sum 'Ni11 As8'
_cell_length_a 9.718
_cell_length_b 9.718
_cell_length_c 11.177
_cell_angle_alpha 90
_cell_angle_beta 102.55
_cell_angle_gamma 90
_cell_volume 1030.330
_exptl_crystal_density_diffrn      8.026
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ni1  -0.24070  -0.43750  -0.21280
Ni2   0.00000  -0.18750  -0.25000
Ni3  -0.11680  -0.03700  -0.09680
Ni4   0.02590   0.11190  -0.09200
Ni5   0.19560  -0.34000  -0.08900
Ni6  -0.05200  -0.59300  -0.09600
As1   0.00000   0.06250  -0.25000
As2   0.00000  -0.43750  -0.25000
As3   0.25000  -0.18750  -0.25000
As4  -0.18750  -0.43750   0.00000
As5  -0.06250  -0.18750   0.50000