# generated using pymatgen data_SrCaH9W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.79155521 _cell_length_b 8.79155416 _cell_length_c 5.06085519 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000395 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCaH9W _chemical_formula_sum 'Sr3 Ca3 H27 W3' _cell_volume 338.75513644 _cell_formula_units_Z 3 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 Sr Sr0 1 1.00000000 0.60802089 0.00000000 1.0 Sr Sr1 1 0.39197911 0.39197911 0.00000000 1.0 Sr Sr2 1 0.60802089 0.00000000 0.00000000 1.0 Ca Ca3 1 1.00000000 0.26054313 0.50000000 1.0 Ca Ca4 1 0.73945687 0.73945687 0.50000000 1.0 Ca Ca5 1 0.26054313 0.00000000 0.50000000 1.0 H H6 1 0.81077887 0.33174473 0.74863246 1.0 H H7 1 0.66825527 0.47903414 0.74863246 1.0 H H8 1 0.52096586 0.18922113 0.74863246 1.0 H H9 1 0.18922113 0.52096586 0.25136754 1.0 H H10 1 0.52096586 0.18922113 0.25136754 1.0 H H11 1 0.81077887 0.33174473 0.25136754 1.0 H H12 1 0.66825527 0.47903414 0.25136754 1.0 H H13 1 0.33174473 0.81077887 0.74863246 1.0 H H14 1 0.47903414 0.66825527 0.74863246 1.0 H H15 1 0.20520665 0.00000000 0.00000000 1.0 H H16 1 0.79479335 0.79479335 0.00000000 1.0 H H17 1 1.00000000 0.20520665 0.00000000 1.0 H H18 1 0.85483022 0.00000000 0.25442424 1.0 H H19 1 0.14516978 0.14516978 0.74557576 1.0 H H20 1 1.00000000 0.85483022 0.74557576 1.0 H H21 1 1.00000000 0.85483022 0.25442424 1.0 H H22 1 0.14516978 0.14516978 0.25442424 1.0 H H23 1 0.85483022 0.00000000 0.74557576 1.0 H H24 1 0.13681373 0.67639121 0.50000000 1.0 H H25 1 0.53957747 0.86318627 0.50000000 1.0 H H26 1 0.32360879 0.46042253 0.50000000 1.0 H H27 1 0.46042253 0.32360879 0.50000000 1.0 H H28 1 0.86318627 0.53957747 0.50000000 1.0 H H29 1 0.67639121 0.13681373 0.50000000 1.0 H H30 1 0.18922113 0.52096586 0.74863246 1.0 H H31 1 0.33174473 0.81077887 0.25136754 1.0 H H32 1 0.47903414 0.66825527 0.25136754 1.0 W W33 1 0.66666700 0.33333300 0.50000000 1.0 W W34 1 0.33333300 0.66666700 0.50000000 1.0 W W35 1 0.00000000 0.00000000 0.00000000 1.0