# generated using pymatgen data_Ti6VTc5As6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.53359371 _cell_length_b 7.52565140 _cell_length_c 7.52565204 _cell_angle_alpha 127.36015380 _cell_angle_beta 124.71857449 _cell_angle_gamma 79.81752219 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti6VTc5As6 _chemical_formula_sum 'Ti6 V1 Tc5 As6' _cell_volume 269.28425154 _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 Ti Ti0 1 0.46268061 0.24627316 0.28256529 1.0 Ti Ti1 1 0.53731939 0.81988568 0.78359255 1.0 Ti Ti2 1 0.74538239 0.65496434 0.40431234 1.0 Ti Ti3 1 0.25461761 0.65892995 0.90958096 1.0 Ti Ti4 1 0.05525456 0.85237590 0.29509895 1.0 Ti Ti5 1 0.94474544 0.23984439 0.79712034 1.0 V V6 1 0.50000000 0.99322935 0.49322935 1.0 Tc Tc7 1 0.66547926 0.50456310 0.91323535 1.0 Tc Tc8 1 0.33452074 0.24775709 0.83908584 1.0 Tc Tc9 1 0.90496148 0.24345289 0.40406186 1.0 Tc Tc10 1 0.09503852 0.49910038 0.33849341 1.0 Tc Tc11 1 0.00000000 0.99025214 0.99025214 1.0 As As12 1 0.83484830 0.57546753 0.74612590 1.0 As As13 1 0.16515170 0.91127559 0.74061923 1.0 As As14 1 0.66874910 0.91484543 0.25199660 1.0 As As15 1 0.33125090 0.58324650 0.24609633 1.0 As As16 1 0.27818062 0.27848547 0.50462971 1.0 As As17 1 0.72181938 0.22644909 0.00030585 1.0