# CIF generated by HEAS from Alexandria entry agm004036747 data_agm004036747 _cell_length_a 4.07036 _cell_length_b 3.32701 _cell_length_c 6.10313 _cell_angle_alpha 74.26294 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 79.55138 _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 0.50000 0.72188 0.68340 1.00000 Mo1 Mo 0.00000 0.98661 0.15043 1.00000 Mo2 Mo 0.50000 0.45907 0.20586 1.00000 P1 P 0.00000 0.33243 0.46032 1.00000