data_global
_chemical_name_mineral 'Montebrasite'
loop_
_publ_author_name
'Groat L A'
'Raudsepp M'
'Hawthorne F C'
'Ercit T S'
'Sherriff B L'
'Hartman J S'
_journal_name_full 'American Mineralogist'
_journal_volume 75 
_journal_year 1990
_journal_page_first 992
_journal_page_last 1008
_publ_section_title
;
 The amblygonite-montebrasite series: Characterization by single-crystal
 structure refinement, infrared spectroscopy and multinuclear MAS-NMR
 spectroscopy
 sample A-1
;
_database_code_amcsd 0001323
_chemical_formula_sum 'P Al O4.567 (F.433 Li) H.567'
_cell_length_a 6.6837
_cell_length_b 7.7080
_cell_length_c 6.9671
_cell_angle_alpha 90.94
_cell_angle_beta 117.75
_cell_angle_gamma 91.36
_cell_volume 317.407
_exptl_crystal_density_diffrn      3.071
_symmetry_space_group_name_H-M 'C -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,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
_atom_site_occupancy
_atom_site_U_iso_or_equiv
P  -0.01496   0.34095   0.26173   1.00000   0.00590
Al1   0.00000   0.00000   0.00000   1.00000   0.00600
Al2   0.00000   0.00000   0.50000   1.00000   0.00580
O1  -0.31630   0.01610  -0.15230   1.00000   0.00870
O2   0.29810   0.05940   0.58090   1.00000   0.00900
O3   0.10010  -0.22240  -0.38680   1.00000   0.00800
O4   0.02590   0.23400   0.09800   1.00000   0.01020
O-H   0.03460   0.08590  -0.23290   0.56700   0.00930
F   0.03460   0.08590  -0.23290   0.43300   0.00930
Li1   0.08000  -0.32000   0.28000   0.50000   0.02770
Li2   0.05000  -0.32000   0.31000   0.50000   0.02770