data_global
_amcsd_formula_title 'PbGaBO4'
loop_
_publ_author_name
'Park H'
'Barbier J'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 57 
_journal_year 2001
_journal_page_first i82
_journal_page_last i84
_publ_section_title
;
 PbGaBO4, an orthoborate with a new structure-type
;
_database_code_amcsd 0010362
_chemical_formula_sum 'Pb Ga B O4'
_cell_length_a 6.9944
_cell_length_b 5.8925
_cell_length_c 8.2495
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 339.999
_exptl_crystal_density_diffrn      6.871
_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_U_iso_or_equiv
Pb   0.06200   0.25000   0.35878   0.00640
Ga   0.00000   0.00000   0.00000   0.00398
B  -0.22370   0.25000  -0.26390   0.00360
O3  -0.17830  -0.25000   0.09210   0.00690
O1   0.10130  -0.25000  -0.11460   0.00410
O2   0.17170  -0.04660   0.19220   0.00730
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
Pb 0.00665 0.00891 0.00364 0.00000 0.00060 0.00000
Ga 0.00501 0.00327 0.00366 0.00093 -0.00066 -0.00089
B 0.00340 0.00450 0.00300 0.00000 -0.00120 0.00000
O3 0.00850 0.00730 0.00480 0.00000 0.00400 0.00000
O1 0.00250 0.00380 0.00590 0.00000 0.00050 0.00000
O2 0.01030 0.00520 0.00640 0.00160 -0.00510 -0.00010