# generated using pymatgen data_Ca2MnGaO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30602058 _cell_length_b 5.53485815 _cell_length_c 14.95155074 _cell_angle_alpha 90.00003947 _cell_angle_beta 89.99932908 _cell_angle_gamma 89.99950601 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2MnGaO5 _chemical_formula_sum 'Ca8 Mn4 Ga4 O20' _cell_volume 439.09820743 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.01371951 0.52575883 0.60856597 1.0 Ca Ca1 1 0.98633919 0.47425368 0.10851683 1.0 Ca Ca2 1 0.51372134 0.97419628 0.60857100 1.0 Ca Ca3 1 0.48634562 0.02579234 0.10852053 1.0 Ca Ca4 1 0.51624965 0.97381149 0.89140807 1.0 Ca Ca5 1 0.01624830 0.52621989 0.89140321 1.0 Ca Ca6 1 0.98362971 0.47373627 0.39135300 1.0 Ca Ca7 1 0.48363463 0.02623065 0.39135911 1.0 Mn Mn8 1 0.99785562 0.99962344 0.50004199 1.0 Mn Mn9 1 0.49785532 0.50034124 0.50004355 1.0 Mn Mn10 1 0.50206262 0.49968858 1.00004174 1.0 Mn Mn11 1 0.00206581 0.00034694 1.00004042 1.0 Ga Ga12 1 0.54905898 0.43221013 0.75004024 1.0 Ga Ga13 1 0.45095504 0.56779648 0.24995001 1.0 Ga Ga14 1 0.95095561 0.93220515 0.24994953 1.0 Ga Ga15 1 0.04905968 0.06778811 0.75003942 1.0 O O16 1 0.47139627 0.56903567 0.85742408 1.0 O O17 1 0.97138865 0.93098523 0.85742490 1.0 O O18 1 0.40273247 0.12115293 0.75006876 1.0 O O19 1 0.25475622 0.24065875 0.51312124 1.0 O O20 1 0.52896724 0.43079768 0.35724080 1.0 O O21 1 0.59728236 0.87885841 0.24998239 1.0 O O22 1 0.74204614 0.75911075 0.48685519 1.0 O O23 1 0.24538693 0.74061746 0.01311417 1.0 O O24 1 0.75475344 0.25930096 0.51311971 1.0 O O25 1 0.24204146 0.74085098 0.48685363 1.0 O O26 1 0.74537925 0.75941704 0.01311455 1.0 O O27 1 0.75780448 0.25919893 0.98685792 1.0 O O28 1 0.02897327 0.06917784 0.35724329 1.0 O O29 1 0.25780590 0.24084474 0.98685768 1.0 O O30 1 0.09728103 0.62114079 0.24998162 1.0 O O31 1 0.46998665 0.56924156 0.64279527 1.0 O O32 1 0.96998886 0.93072495 0.64279932 1.0 O O33 1 0.90273255 0.37884662 0.75006768 1.0 O O34 1 0.02977098 0.06907276 0.14261871 1.0 O O35 1 0.52977121 0.43096343 0.14261346 1.0