data_global
_chemical_name_mineral 'Monipite'
loop_
_publ_author_name
'Guerin R'
'Sergent M'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 33 
_journal_year 1977
_journal_page_first 2820
_journal_page_last 2823
_publ_section_title
;
 Structure cristalline de NiMoP
 Localite: synthetic
;
_database_code_amcsd 0009604
_chemical_formula_sum 'Ni Mo P'
_cell_length_a 5.861
_cell_length_b 5.861
_cell_length_c 3.704
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 110.191
_exptl_crystal_density_diffrn      8.391
_symmetry_space_group_name_H-M 'P -6 2 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,z'
  '-x+y,-x,-z'
  'y,x,-z'
  '-y,x-y,z'
  'x-y,-y,z'
  'x,y,-z'
  '-x,-x+y,-z'
  '-x+y,-x,z'
  'y,x,z'
  '-y,x-y,-z'
  'x-y,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ni   0.25034   0.00000   0.00000
Mo   0.58647   0.00000   0.50000
P1   0.33333   0.66667   0.00000
P2   0.00000   0.00000   0.50000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ni 0.00313 0.00379 0.00327 0.00183 0.00000 0.00000
Mo 0.00248 0.00287 0.00104 0.00144 0.00000 0.00000
P1 0.00287 0.00287 0.00327 0.00144 0.00000 0.00000
P2 0.00405 0.00405 0.00229 0.00196 0.00000 0.00000