data_global
_chemical_name_mineral 'Minyulite'
loop_
_publ_author_name
'Kampf A R'
_journal_name_full 'American Mineralogist'
_journal_volume 62 
_journal_year 1977
_journal_page_first 256
_journal_page_last 262
_publ_section_title
;
 Minyulite: its atomic arrangement
;
_database_code_amcsd 0000563
_chemical_formula_sum 'K Al2 P2 O12 F H8'
_cell_length_a 9.337
_cell_length_b 9.740
_cell_length_c 5.522
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 502.184
_exptl_crystal_density_diffrn      2.474
_symmetry_space_group_name_H-M 'P b a 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,z'
  '-x,-y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K   0.00000   0.00000   0.00000
Al   0.35910   0.11050   0.95450
P   0.14700   0.32430   0.20400
O1   0.48320   0.17890   0.17980
O2   0.20750   0.46580   0.13820
O3   0.20750   0.21680   0.03100
O4   0.18500   0.29180   0.46750
OW1   0.23830   0.04290   0.67930
OW2   0.42850   0.25110   0.72020
F   0.00000   0.50000   0.82170
H1   0.22600   0.11000   0.59600
H2   0.23400   0.48600   0.59700
H3   0.35200   0.26300   0.60600
H4   0.00200   0.28100   0.60800
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
K 0.01369 0.02355 0.02657 -0.00323 0.00000 0.00000
Al 0.00707 0.00769 0.00850 0.00046 -0.00078 -0.00027
P 0.00707 0.00769 0.00726 0.01060 0.00157 0.00163
O1 0.00707 0.01394 0.01081 -0.00046 0.00026 -0.00163
O2 0.00883 0.00865 0.01838 0.00046 -0.00235 0.00191
O3 0.01016 0.01105 0.01375 0.00323 0.00000 -0.00354
O4 0.01237 0.01778 0.01081 0.00138 -0.00104 0.00245
OW1 0.01546 0.01394 0.01097 0.00276 0.00000 -0.00272
OW2 0.01325 0.01394 0.01220 0.00138 0.00078 0.00136
F 0.01060 0.01153 0.00927 -0.00415 0.00000 0.00000