# CIF generated by HEAS from Alexandria entry agm044115306
data_agm044115306
_cell_length_a     5.47263
_cell_length_b     5.47263
_cell_length_c     5.61322
_cell_angle_alpha  80.64353
_cell_angle_beta   80.64353
_cell_angle_gamma  119.95669
_cell_volume       137.75046
_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 0.00000 0.00000 0.00000 1.00000
  Sc1 Sc 0.66614 0.33386 0.00000 1.00000
  Sc2 Sc 0.33386 0.66614 0.00000 1.00000
  Nb1 Nb 0.84136 0.15864 0.50000 1.00000
  Nb2 Nb 0.15864 0.84136 0.50000 1.00000
  Nb3 Nb 0.50000 0.50000 0.50000 1.00000
  N1 N 0.56938 0.91246 0.26382 1.00000
  N2 N 0.74010 0.74010 0.74728 1.00000
  N3 N 0.43062 0.08754 0.73618 1.00000
  N4 N 0.91246 0.56938 0.26382 1.00000
  N5 N 0.25990 0.25990 0.25272 1.00000
  N6 N 0.08754 0.43062 0.73618 1.00000