# CIF generated by HEAS from Alexandria entry agm004449385 data_agm004449385 _cell_length_a 10.01690 _cell_length_b 3.75955 _cell_length_c 6.49511 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 244.59958 _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 0.30739 0.00000 0.71400 1.00000 Ca2 Ca 0.69261 0.00000 0.71400 1.00000 Ca3 Ca 0.80739 0.50000 0.21400 1.00000 Ca4 Ca 0.19261 0.50000 0.21400 1.00000 Ca5 Ca 0.00000 0.00000 0.80464 1.00000 Ca6 Ca 0.50000 0.50000 0.30464 1.00000 C1 C 0.36721 0.00000 0.10087 1.00000 C2 C 0.63279 0.00000 0.10087 1.00000 C3 C 0.86721 0.50000 0.60087 1.00000 C4 C 0.13279 0.50000 0.60087 1.00000 C5 C 0.00000 0.50000 0.56762 1.00000 C6 C 0.50000 0.00000 0.06762 1.00000