# generated using pymatgen data_Ca7(Mg3Si7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21525700 _cell_length_b 12.93437446 _cell_length_c 12.93437446 _cell_angle_alpha 120.00000237 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca7(Mg3Si7)2 _chemical_formula_sum 'Ca7 Mg6 Si14' _cell_volume 610.72477709 _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 Ca Ca0 1 0.00000000 0.81339000 0.18661000 1.0 Ca Ca1 1 0.00000000 0.18661000 0.81339000 1.0 Ca Ca2 1 0.00000000 0.37322000 0.18661000 1.0 Ca Ca3 1 0.00000000 0.62678000 0.81339000 1.0 Ca Ca4 1 0.00000000 0.81339000 0.62678000 1.0 Ca Ca5 1 0.00000000 0.18661000 0.37322000 1.0 Ca Ca6 1 0.00000000 0.00000000 0.00000000 1.0 Mg Mg7 1 0.50000000 0.41368100 0.58631900 1.0 Mg Mg8 1 0.50000000 0.58631900 0.41368100 1.0 Mg Mg9 1 0.50000000 0.17263800 0.58631900 1.0 Mg Mg10 1 0.50000000 0.82736200 0.41368100 1.0 Mg Mg11 1 0.50000000 0.41368100 0.82736200 1.0 Mg Mg12 1 0.50000000 0.58631900 0.17263800 1.0 Si Si13 1 0.50000000 0.64316400 0.64316400 1.0 Si Si14 1 0.50000000 0.35683600 0.35683600 1.0 Si Si15 1 0.50000000 0.00000000 0.35683600 1.0 Si Si16 1 0.50000000 0.00000000 0.64316400 1.0 Si Si17 1 0.50000000 0.35683600 0.00000000 1.0 Si Si18 1 0.50000000 0.64316400 0.00000000 1.0 Si Si19 1 0.50000000 0.81896900 0.81896900 1.0 Si Si20 1 0.50000000 0.18103100 0.18103100 1.0 Si Si21 1 0.50000000 0.00000000 0.18103100 1.0 Si Si22 1 0.50000000 0.00000000 0.81896900 1.0 Si Si23 1 0.50000000 0.18103100 0.00000000 1.0 Si Si24 1 0.50000000 0.81896900 0.00000000 1.0 Si Si25 1 0.00000000 0.66666700 0.33333300 1.0 Si Si26 1 0.00000000 0.33333300 0.66666700 1.0