# CIF generated by HEAS from Alexandria entry agm003827872 data_agm003827872 _cell_length_a 5.85283 _cell_length_b 6.67561 _cell_length_c 3.36467 _cell_angle_alpha 78.91909 _cell_angle_beta 82.15737 _cell_angle_gamma 113.82758 _cell_volume 114.60950 _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 Mo1 Mo 0.50000 0.50000 0.00000 1.00000 Ca1 Ca 0.00000 0.00000 0.00000 1.00000 Ca2 Ca 0.50000 0.00000 0.50000 1.00000 La1 La 0.00000 0.50000 0.50000 1.00000