# generated using pymatgen data_Ca2La8Ti5Cr5O30 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52203327 _cell_length_b 5.52281642 _cell_length_c 27.61961218 _cell_angle_alpha 60.67661310 _cell_angle_beta 60.70784065 _cell_angle_gamma 60.68658216 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2La8Ti5Cr5O30 _chemical_formula_sum 'Ca2 La8 Ti5 Cr5 O30' _cell_volume 604.89114068 _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 0.25188900 0.25328900 0.04762900 1.0 Ca Ca1 1 0.74811100 0.74671100 0.35237100 1.0 La La2 1 0.24694900 0.24559500 0.25222400 1.0 La La3 1 0.75305100 0.75440500 0.14777600 1.0 La La4 1 0.25207200 0.25080500 0.45076200 1.0 La La5 1 0.24901600 0.25127100 0.64996900 1.0 La La6 1 0.74859200 0.75061400 0.55074100 1.0 La La7 1 0.25140800 0.24938600 0.84925900 1.0 La La8 1 0.75098400 0.74872900 0.75003100 1.0 La La9 1 0.74792800 0.74919500 0.94923800 1.0 Ti Ti10 1 0.99805700 0.99721100 0.00059300 1.0 Ti Ti11 1 0.00000000 0.00000000 0.20000000 1.0 Ti Ti12 1 0.50455900 0.50007800 0.09935100 1.0 Ti Ti13 1 0.00194300 0.00278900 0.39940700 1.0 Ti Ti14 1 0.49544100 0.49992200 0.30064900 1.0 Cr Cr15 1 0.99961300 0.00072800 0.59982700 1.0 Cr Cr16 1 0.50178800 0.50191600 0.49920600 1.0 Cr Cr17 1 0.00038700 0.99927200 0.80017300 1.0 Cr Cr18 1 0.50000000 0.50000000 0.70000000 1.0 Cr Cr19 1 0.49821200 0.49808400 0.90079400 1.0 O O20 1 0.19028000 0.74999000 0.06181500 1.0 O O21 1 0.31207100 0.18902500 0.15140800 1.0 O O22 1 0.75349800 0.30766900 0.03770000 1.0 O O23 1 0.25274000 0.68343400 0.16308200 1.0 O O24 1 0.68446300 0.81799200 0.05016300 1.0 O O25 1 0.18333800 0.74919800 0.26328100 1.0 O O26 1 0.81666200 0.25080200 0.13671900 1.0 O O27 1 0.31553700 0.18200800 0.34983700 1.0 O O28 1 0.74726000 0.31656600 0.23691800 1.0 O O29 1 0.24650200 0.69233100 0.36230000 1.0 O O30 1 0.68792900 0.81097500 0.24859200 1.0 O O31 1 0.18179100 0.75305600 0.46317700 1.0 O O32 1 0.80972000 0.25001000 0.33818500 1.0 O O33 1 0.32263600 0.17950000 0.54884000 1.0 O O34 1 0.75229100 0.31696000 0.43590000 1.0 O O35 1 0.25010200 0.67913000 0.56377900 1.0 O O36 1 0.68634700 0.81748800 0.45036900 1.0 O O37 1 0.17825500 0.75015100 0.66404200 1.0 O O38 1 0.82293300 0.25125300 0.53506900 1.0 O O39 1 0.32251400 0.17651600 0.75064500 1.0 O O40 1 0.75038600 0.32144800 0.63555000 1.0 O O41 1 0.24961400 0.67855200 0.76445000 1.0 O O42 1 0.67748600 0.82348400 0.64935500 1.0 O O43 1 0.17706700 0.74874700 0.86493100 1.0 O O44 1 0.82174500 0.24984900 0.73595800 1.0 O O45 1 0.31365300 0.18251200 0.94963100 1.0 O O46 1 0.74989800 0.32087000 0.83622100 1.0 O O47 1 0.24770900 0.68304000 0.96410000 1.0 O O48 1 0.67736400 0.82050000 0.85116000 1.0 O O49 1 0.81820900 0.24694400 0.93682300 1.0