# generated using pymatgen data_Ca5La7Mn7Ru5O36 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56082136 _cell_length_b 5.65386631 _cell_length_c 23.69855559 _cell_angle_alpha 89.82751242 _cell_angle_beta 90.10070298 _cell_angle_gamma 90.16411406 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca5La7Mn7Ru5O36 _chemical_formula_sum 'Ca5 La7 Mn7 Ru5 O36' _cell_volume 745.07834552 _cell_formula_units_Z 1 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 0.01040200 0.05010200 0.08575300 1.0 Ca Ca1 1 0.48382200 0.55660900 0.08560300 1.0 Ca Ca2 1 0.51656300 0.44409100 0.24903400 1.0 Ca Ca3 1 0.98768300 0.94968500 0.24952100 1.0 Ca Ca4 1 0.99202500 0.95773900 0.57922300 1.0 La La5 1 0.00834600 0.03898300 0.41753500 1.0 La La6 1 0.00563900 0.03665100 0.75041400 1.0 La La7 1 0.48872800 0.54201000 0.41562000 1.0 La La8 1 0.48758700 0.54182600 0.75165300 1.0 La La9 1 0.51340800 0.45616100 0.57968700 1.0 La La10 1 0.51187200 0.45904500 0.91826500 1.0 La La11 1 0.99194400 0.96141900 0.91773200 1.0 Mn Mn12 1 0.99866700 0.49943300 0.83417800 1.0 Mn Mn13 1 0.50107000 0.99920300 0.50028200 1.0 Mn Mn14 1 0.49866800 0.00039000 0.83397100 1.0 Mn Mn15 1 0.49691900 0.00080000 0.00434700 1.0 Mn Mn16 1 0.50142900 0.99914400 0.33001400 1.0 Mn Mn17 1 0.49996600 0.00017500 0.66428100 1.0 Mn Mn18 1 0.00118800 0.50100900 0.50032800 1.0 Ru Ru19 1 0.99994300 0.50226500 0.00467800 1.0 Ru Ru20 1 0.00099000 0.50043300 0.16703300 1.0 Ru Ru21 1 0.99956200 0.49950800 0.66442900 1.0 Ru Ru22 1 0.50163800 0.99963000 0.16730600 1.0 Ru Ru23 1 0.00054100 0.49790200 0.32931500 1.0 O O24 1 0.09570300 0.52671900 0.24883700 1.0 O O25 1 0.09158600 0.53601600 0.58578500 1.0 O O26 1 0.08918000 0.52338500 0.92175200 1.0 O O27 1 0.20580600 0.79282600 0.14970700 1.0 O O28 1 0.22195900 0.78239000 0.48407800 1.0 O O29 1 0.21801800 0.78337000 0.81912400 1.0 O O30 1 0.20047900 0.78187100 0.34886000 1.0 O O31 1 0.18767200 0.79752400 0.01759200 1.0 O O32 1 0.20493900 0.78007000 0.68488100 1.0 O O33 1 0.29384300 0.31103700 0.01625600 1.0 O O34 1 0.28135500 0.29530400 0.34901000 1.0 O O35 1 0.28640400 0.29746200 0.68255200 1.0 O O36 1 0.29579600 0.29164600 0.14925200 1.0 O O37 1 0.28450200 0.28779900 0.48556700 1.0 O O38 1 0.27721600 0.28255900 0.81950100 1.0 O O39 1 0.41216100 0.02353000 0.58332100 1.0 O O40 1 0.40136300 0.03287200 0.24820000 1.0 O O41 1 0.42139900 0.01647400 0.91809600 1.0 O O42 1 0.60016700 0.96561500 0.08699800 1.0 O O43 1 0.57672600 0.98572400 0.41404900 1.0 O O44 1 0.57869900 0.98406300 0.74897400 1.0 O O45 1 0.70378400 0.70735600 0.18458000 1.0 O O46 1 0.71823400 0.71401700 0.51243100 1.0 O O47 1 0.71895800 0.71610600 0.84757000 1.0 O O48 1 0.70784600 0.69275100 0.31689900 1.0 O O49 1 0.70940800 0.69414900 0.65230600 1.0 O O50 1 0.71897300 0.70642500 0.98397500 1.0 O O51 1 0.80643600 0.20636000 0.31603600 1.0 O O52 1 0.80995100 0.20721500 0.64908100 1.0 O O53 1 0.79775100 0.22122900 0.98425900 1.0 O O54 1 0.79522200 0.20615500 0.18395300 1.0 O O55 1 0.77907300 0.21656900 0.84831200 1.0 O O56 1 0.78503000 0.21548100 0.51418900 1.0 O O57 1 0.90067500 0.46973400 0.08482500 1.0 O O58 1 0.91442700 0.47877700 0.41209100 1.0 O O59 1 0.91065800 0.47520200 0.74689800 1.0