# CIF generated by HEAS from Alexandria entry agm017155516
data_agm017155516
_cell_length_a     7.15062
_cell_length_b     7.15062
_cell_length_c     13.93878
_cell_angle_alpha  85.41159
_cell_angle_beta   94.58841
_cell_angle_gamma  87.17938
_cell_volume       707.03781
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  Ba1 Ba 0.88953 0.88953 0.00000 1.00000
  Ba2 Ba 0.88545 0.88545 0.50000 1.00000
  Ba3 Ba 0.60659 0.25452 0.81841 1.00000
  Ba4 Ba 0.61779 0.24948 0.31882 1.00000
  Ba5 Ba 0.24948 0.61779 0.68118 1.00000
  Ba6 Ba 0.25452 0.60659 0.18159 1.00000
  Ba7 Ba 0.38482 0.74904 0.93301 1.00000
  Ba8 Ba 0.38551 0.74709 0.43212 1.00000
  Ba9 Ba 0.74904 0.38482 0.06699 1.00000
  Ba10 Ba 0.74709 0.38551 0.56788 1.00000
  Ba11 Ba 0.11193 0.11819 0.75150 1.00000
  Ba12 Ba 0.11819 0.11193 0.24850 1.00000
  Sc1 Sc 0.25346 0.25346 0.50000 1.00000
  Sc2 Sc 0.74665 0.74848 0.74899 1.00000
  Sc3 Sc 0.74848 0.74665 0.25101 1.00000
  Mn1 Mn 0.99927 0.50130 0.87499 1.00000
  Mn2 Mn 0.00080 0.49894 0.37458 1.00000
  Mn3 Mn 0.50130 0.99927 0.12501 1.00000
  Mn4 Mn 0.49894 0.00080 0.62542 1.00000
  Mn5 Mn 0.25159 0.25159 0.00000 1.00000
  O1 O 0.95937 0.23329 0.92056 1.00000
  O2 O 0.97487 0.22441 0.42502 1.00000
  O3 O 0.27730 0.40817 0.85832 1.00000
  O4 O 0.29988 0.38984 0.36578 1.00000
  O5 O 0.08367 0.54126 0.00899 1.00000
  O6 O 0.09194 0.53078 0.50909 1.00000
  O7 O 0.46975 0.90615 0.76064 1.00000
  O8 O 0.47298 0.90444 0.26043 1.00000
  O9 O 0.60448 0.71032 0.11492 1.00000
  O10 O 0.61055 0.70333 0.61524 1.00000
  O11 O 0.77407 0.02822 0.67611 1.00000
  O12 O 0.77619 0.02438 0.17563 1.00000
  O13 O 0.02438 0.77619 0.82437 1.00000
  O14 O 0.02822 0.77407 0.32389 1.00000
  O15 O 0.71032 0.60448 0.88508 1.00000
  O16 O 0.70333 0.61055 0.38476 1.00000
  O17 O 0.90444 0.47298 0.73957 1.00000
  O18 O 0.90615 0.46975 0.23936 1.00000
  O19 O 0.54126 0.08367 0.99101 1.00000
  O20 O 0.53078 0.09194 0.49091 1.00000
  O21 O 0.38984 0.29988 0.63422 1.00000
  O22 O 0.40817 0.27730 0.14168 1.00000
  O23 O 0.23329 0.95937 0.07944 1.00000
  O24 O 0.22441 0.97487 0.57498 1.00000