# CIF generated by HEAS from Alexandria entry agm005809997 data_agm005809997 _cell_length_a 5.62414 _cell_length_b 5.62414 _cell_length_c 4.61669 _cell_angle_alpha 52.47489 _cell_angle_beta 52.47489 _cell_angle_gamma 60.00003 _cell_volume 89.89914 _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 Ba1 Ba 0.50000 0.50000 0.50000 1.00000 Mo1 Mo 0.00000 0.00000 0.00000 1.00000 H1 H 0.11951 0.11951 0.17650 1.00000 H2 H 0.11951 0.58447 0.17650 1.00000 H3 H 0.41553 0.88049 0.82350 1.00000 H4 H 0.88049 0.41553 0.82350 1.00000 H5 H 0.88049 0.88049 0.82350 1.00000 H6 H 0.58447 0.11951 0.17650 1.00000