# CIF generated by HEAS from Alexandria entry agm007385385 data_agm007385385 _cell_length_a 6.24205 _cell_length_b 6.24205 _cell_length_c 6.24205 _cell_angle_alpha 45.13904 _cell_angle_beta 45.13904 _cell_angle_gamma 45.13904 _cell_volume 111.25234 _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 Cu1 Cu 0.78132 0.78132 0.78132 1.00000 Cu2 Cu 0.21868 0.21868 0.21868 1.00000 H1 H 0.87445 0.87445 0.87445 1.00000 H2 H 0.56543 0.08328 0.56543 1.00000 H3 H 0.12555 0.12555 0.12555 1.00000 H4 H 0.08328 0.56543 0.56543 1.00000 H5 H 0.91672 0.43457 0.43457 1.00000 H6 H 0.56543 0.56543 0.08328 1.00000 H7 H 0.43457 0.43457 0.91672 1.00000 H8 H 0.43457 0.91672 0.43457 1.00000 Se1 Se 0.50000 0.50000 0.50000 1.00000