# CIF generated by HEAS from Alexandria entry agm005961002
data_agm005961002
_cell_length_a     10.12354
_cell_length_b     10.52280
_cell_length_c     10.70675
_cell_angle_alpha  55.49284
_cell_angle_beta   61.78613
_cell_angle_gamma  61.24739
_cell_volume       791.71858
_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
  Ca1 Ca 0.02544 0.75000 0.25000 1.00000
  Ca2 Ca 0.97456 0.25000 0.75000 1.00000
  B1 B 0.85838 0.87297 0.93589 1.00000
  B2 B 0.33275 0.37297 0.43589 1.00000
  B3 B 0.66725 0.62703 0.56411 1.00000
  B4 B 0.14162 0.12703 0.06411 1.00000
  Br1 Br 0.47154 0.70985 0.51194 1.00000
  Br2 Br 0.08484 0.96818 0.29814 1.00000
  Br3 Br 0.78531 0.00254 0.06238 1.00000
  Br4 Br 0.26097 0.19176 0.48973 1.00000
  Br5 Br 0.21469 0.99746 0.93762 1.00000
  Br6 Br 0.94247 0.30824 0.01027 1.00000
  Br7 Br 0.73903 0.80824 0.51027 1.00000
  Br8 Br 0.14977 0.50254 0.56238 1.00000
  Br9 Br 0.05753 0.69176 0.98973 1.00000
  Br10 Br 0.69334 0.79015 0.98806 1.00000
  Br11 Br 0.64884 0.46818 0.79814 1.00000
  Br12 Br 0.35116 0.53182 0.20186 1.00000
  Br13 Br 0.30666 0.20985 0.01194 1.00000
  Br14 Br 0.85023 0.49746 0.43762 1.00000
  Br15 Br 0.52846 0.29015 0.48806 1.00000
  Br16 Br 0.91516 0.03182 0.70186 1.00000