# CIF generated by HEAS from Alexandria entry agm007016003 data_agm007016003 _cell_length_a 5.79238 _cell_length_b 5.79238 _cell_length_c 5.79238 _cell_angle_alpha 118.38181 _cell_angle_beta 120.42347 _cell_angle_gamma 91.04674 _cell_volume 138.58387 _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 0.13074 0.38074 0.75000 1.00000 Ca2 Ca 0.86926 0.61926 0.25000 1.00000 Mn1 Mn 0.50000 0.00000 0.50000 1.00000 Mn2 Mn 0.00000 0.00000 0.00000 1.00000 Fe1 Fe 0.50000 0.50000 0.50000 1.00000 Fe2 Fe 0.50000 0.00000 0.00000 1.00000 H1 H 0.58577 0.33577 0.25000 1.00000 H2 H 0.14286 0.89286 0.25000 1.00000 H3 H 0.15708 0.88997 0.80210 1.00000 H4 H 0.58788 0.35499 0.69790 1.00000 H5 H 0.58788 0.88997 0.23289 1.00000 H6 H 0.15708 0.35499 0.26711 1.00000 H7 H 0.41423 0.66423 0.75000 1.00000 H8 H 0.85714 0.10714 0.75000 1.00000 H9 H 0.84292 0.11003 0.19790 1.00000 H10 H 0.41212 0.64501 0.30210 1.00000 H11 H 0.41212 0.11003 0.76711 1.00000 H12 H 0.84292 0.64501 0.73289 1.00000