# generated using pymatgen data_Ba2TiCrH10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76589576 _cell_length_b 5.40975464 _cell_length_c 12.87308342 _cell_angle_alpha 89.99912967 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2TiCrH10 _chemical_formula_sum 'Ba4 Ti2 Cr2 H20' _cell_volume 331.89804241 _cell_formula_units_Z 2 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 Ba Ba0 1 0.26663471 0.25010243 0.64780910 1.0 Ba Ba1 1 0.76663471 0.24989757 0.35219090 1.0 Ba Ba2 1 0.22813596 0.74994750 0.15347078 1.0 Ba Ba3 1 0.72813596 0.75005250 0.84652922 1.0 Ti Ti4 1 0.24101951 0.25004067 0.95152813 1.0 Ti Ti5 1 0.74101951 0.24995933 0.04847187 1.0 Cr Cr6 1 0.20958055 0.74992401 0.42844283 1.0 Cr Cr7 1 0.70958055 0.75007599 0.57155717 1.0 H H8 1 0.49751131 0.55461333 0.49650139 1.0 H H9 1 0.99751131 0.94538667 0.50349861 1.0 H H10 1 0.97700061 0.48994058 0.99117001 1.0 H H11 1 0.47700061 0.01005942 0.00882999 1.0 H H12 1 0.23295362 0.02900705 0.83892879 1.0 H H13 1 0.73295362 0.47099295 0.16107121 1.0 H H14 1 0.28910395 0.98635692 0.34133654 1.0 H H15 1 0.78910395 0.51364308 0.65866346 1.0 H H16 1 0.23294798 0.47125470 0.83896965 1.0 H H17 1 0.73294798 0.02874530 0.16103035 1.0 H H18 1 0.28912970 0.51344426 0.34134873 1.0 H H19 1 0.78912970 0.98655574 0.65865127 1.0 H H20 1 0.63852755 0.25006068 0.90489593 1.0 H H21 1 0.13852755 0.24993932 0.09510407 1.0 H H22 1 0.92295604 0.74987365 0.35222918 1.0 H H23 1 0.42295604 0.75012635 0.64777082 1.0 H H24 1 0.97704586 0.01008180 0.99112385 1.0 H H25 1 0.47704586 0.48991820 0.00887615 1.0 H H26 1 0.49745165 0.94545031 0.49648032 1.0 H H27 1 0.99745165 0.55454969 0.50351968 1.0