# generated using pymatgen data_Na(Ca3Ga2)7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.31469685 _cell_length_b 11.31469768 _cell_length_c 11.31469782 _cell_angle_alpha 60.00000247 _cell_angle_beta 60.00000005 _cell_angle_gamma 60.00000412 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na(Ca3Ga2)7 _chemical_formula_sum 'Na1 Ca21 Ga14' _cell_volume 1024.26860484 _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 Na Na0 1 0.50000000 0.50000000 0.50000000 1.0 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1.0 Ca Ca2 1 0.12943164 0.12943164 0.12943164 1.0 Ca Ca3 1 0.38829392 0.87056836 0.87056836 1.0 Ca Ca4 1 0.87056836 0.38829392 0.87056836 1.0 Ca Ca5 1 0.87056836 0.87056836 0.38829392 1.0 Ca Ca6 1 0.12943164 0.61170608 0.12943164 1.0 Ca Ca7 1 0.12943164 0.12943164 0.61170608 1.0 Ca Ca8 1 0.61170608 0.12943164 0.12943164 1.0 Ca Ca9 1 0.87056836 0.87056836 0.87056836 1.0 Ca Ca10 1 0.50000000 0.83289780 0.50000000 1.0 Ca Ca11 1 0.83289780 0.50000000 0.50000000 1.0 Ca Ca12 1 0.50000000 0.83289780 0.16710220 1.0 Ca Ca13 1 0.16710220 0.50000000 0.83289780 1.0 Ca Ca14 1 0.83289780 0.50000000 0.16710220 1.0 Ca Ca15 1 0.50000000 0.50000000 0.83289780 1.0 Ca Ca16 1 0.16710220 0.83289780 0.50000000 1.0 Ca Ca17 1 0.50000000 0.16710220 0.83289780 1.0 Ca Ca18 1 0.50000000 0.50000000 0.16710220 1.0 Ca Ca19 1 0.83289780 0.16710220 0.50000000 1.0 Ca Ca20 1 0.16710220 0.50000000 0.50000000 1.0 Ca Ca21 1 0.50000000 0.16710220 0.50000000 1.0 Ga Ga22 1 0.21693002 0.78306998 0.21693002 1.0 Ga Ga23 1 0.21693002 0.78306998 0.78306998 1.0 Ga Ga24 1 0.78306998 0.21693002 0.21693002 1.0 Ga Ga25 1 0.78306998 0.78306998 0.21693002 1.0 Ga Ga26 1 0.21693002 0.21693002 0.78306998 1.0 Ga Ga27 1 0.78306998 0.21693002 0.78306998 1.0 Ga Ga28 1 0.30874165 0.30874065 0.30874065 1.0 Ga Ga29 1 0.92622296 0.69125935 0.69125935 1.0 Ga Ga30 1 0.69125935 0.92622296 0.69125935 1.0 Ga Ga31 1 0.69125935 0.69125935 0.92622296 1.0 Ga Ga32 1 0.30874065 0.07377704 0.30874065 1.0 Ga Ga33 1 0.30874065 0.30874065 0.07377704 1.0 Ga Ga34 1 0.07377704 0.30874065 0.30874065 1.0 Ga Ga35 1 0.69125935 0.69125935 0.69125835 1.0