# CIF generated by HEAS from Alexandria entry agm002811196
data_agm002811196
_cell_length_a     4.81982
_cell_length_b     4.81982
_cell_length_c     10.37779
_cell_angle_alpha  76.57231
_cell_angle_beta   76.57231
_cell_angle_gamma  90.00000
_cell_volume       227.71179
_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
  Nb1 Nb 0.87510 0.12500 0.25000 1.00000
  Nb2 Nb 0.87490 0.62500 0.25000 1.00000
  Nb3 Nb 0.37500 0.12490 0.75000 1.00000
  Nb4 Nb 0.87500 0.12510 0.75000 1.00000
  Ca1 Ca 0.50000 0.50000 0.00000 1.00000
  Ca2 Ca 0.25000 0.75000 0.50000 1.00000
  Br1 Br 0.00000 0.00000 0.00000 1.00000
  Br2 Br 0.75000 0.25000 0.50000 1.00000