# CIF generated by HEAS from Alexandria entry agm096777558
data_agm096777558
_cell_length_a     3.66926
_cell_length_b     6.45019
_cell_length_c     7.47224
_cell_angle_alpha  89.91055
_cell_angle_beta   90.00800
_cell_angle_gamma  106.45735
_cell_volume       169.60288
_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 0.81553 0.13081 0.81177 1.00000
  Ca2 Ca 0.81615 0.13186 0.33099 1.00000
  Ca3 Ca 0.53710 0.57519 0.57243 1.00000
  Ca4 Ca 0.08843 0.67711 0.07207 1.00000
  Ni1 Ni 0.40605 0.31162 0.07051 1.00000
  H1 H 0.90721 0.31376 0.07074 1.00000
  H2 H 0.92953 0.35964 0.57149 1.00000