# generated using pymatgen data_Ca11Ga7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.34206976 _cell_length_b 11.34206963 _cell_length_c 11.34206934 _cell_angle_alpha 60.00000084 _cell_angle_beta 60.00000124 _cell_angle_gamma 60.00000041 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca11Ga7 _chemical_formula_sum 'Ca22 Ga14' _cell_volume 1031.72019528 _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 Ca Ca0 1 0.00000000 -0.00000000 0.00000000 1.0 Ca Ca1 1 0.50000000 0.50000000 0.50000000 1.0 Ca Ca2 1 0.12973859 0.12973859 0.12973859 1.0 Ca Ca3 1 0.87026141 0.87026141 0.38921476 1.0 Ca Ca4 1 0.38921476 0.87026141 0.87026141 1.0 Ca Ca5 1 0.87026141 0.38921476 0.87026141 1.0 Ca Ca6 1 0.61078524 0.12973859 0.12973859 1.0 Ca Ca7 1 0.12973859 0.61078524 0.12973859 1.0 Ca Ca8 1 0.12973859 0.12973859 0.61078524 1.0 Ca Ca9 1 0.87026141 0.87026141 0.87026141 1.0 Ca Ca10 1 0.83584304 0.50000000 0.50000000 1.0 Ca Ca11 1 0.50000000 0.50000000 0.83584304 1.0 Ca Ca12 1 0.83584304 0.16415696 0.50000000 1.0 Ca Ca13 1 0.50000000 0.83584304 0.16415696 1.0 Ca Ca14 1 0.50000000 0.16415696 0.83584304 1.0 Ca Ca15 1 0.50000000 0.83584304 0.50000000 1.0 Ca Ca16 1 0.83584304 0.50000000 0.16415696 1.0 Ca Ca17 1 0.16415696 0.83584304 0.50000000 1.0 Ca Ca18 1 0.50000000 0.16415696 0.50000000 1.0 Ca Ca19 1 0.16415696 0.50000000 0.83584304 1.0 Ca Ca20 1 0.50000000 0.50000000 0.16415696 1.0 Ca Ca21 1 0.16415696 0.50000000 0.50000000 1.0 Ga Ga22 1 0.78004758 0.21995242 0.21995242 1.0 Ga Ga23 1 0.78004758 0.78004758 0.21995242 1.0 Ga Ga24 1 0.21995242 0.21995242 0.78004758 1.0 Ga Ga25 1 0.78004758 0.21995242 0.78004758 1.0 Ga Ga26 1 0.21995242 0.78004758 0.21995242 1.0 Ga Ga27 1 0.21995242 0.78004758 0.78004758 1.0 Ga Ga28 1 0.30871715 0.30871715 0.30871715 1.0 Ga Ga29 1 0.69128185 0.69128185 0.92615245 1.0 Ga Ga30 1 0.92615245 0.69128185 0.69128185 1.0 Ga Ga31 1 0.69128185 0.92615245 0.69128185 1.0 Ga Ga32 1 0.07384755 0.30871715 0.30871715 1.0 Ga Ga33 1 0.30871715 0.07384755 0.30871715 1.0 Ga Ga34 1 0.30871715 0.30871715 0.07384755 1.0 Ga Ga35 1 0.69128185 0.69128185 0.69128185 1.0