# generated using pymatgen data_Ca6LaNi4Sn13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.22536595 _cell_length_b 11.22536595 _cell_length_c 4.62497411 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca6LaNi4Sn13 _chemical_formula_sum 'Ca6 La1 Ni4 Sn13' _cell_volume 582.78762586 _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 0.83922431 0.16846697 0.00000000 1.0 Ca Ca1 1 0.83153303 0.83922431 0.00000000 1.0 Ca Ca2 1 0.16077569 0.83153303 0.00000000 1.0 Ca Ca3 1 0.16846697 0.16077569 0.00000000 1.0 Ca Ca4 1 0.00000000 0.50000000 0.00000000 1.0 Ca Ca5 1 0.50000000 0.00000000 0.00000000 1.0 La La6 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni7 1 0.77579973 0.61899060 0.50000000 1.0 Ni Ni8 1 0.38100940 0.77579973 0.50000000 1.0 Ni Ni9 1 0.61899060 0.22420027 0.50000000 1.0 Ni Ni10 1 0.22420027 0.38100940 0.50000000 1.0 Sn Sn11 1 0.01833778 0.28520665 0.50000000 1.0 Sn Sn12 1 0.98166222 0.71479335 0.50000000 1.0 Sn Sn13 1 0.21484489 0.61174883 0.50000000 1.0 Sn Sn14 1 0.57720633 0.30472171 0.00000000 1.0 Sn Sn15 1 0.69527829 0.57720633 0.00000000 1.0 Sn Sn16 1 0.78515511 0.38825117 0.50000000 1.0 Sn Sn17 1 0.71479335 0.01833778 0.50000000 1.0 Sn Sn18 1 0.00000000 0.00000000 0.50000000 1.0 Sn Sn19 1 0.28520665 0.98166222 0.50000000 1.0 Sn Sn20 1 0.42279367 0.69527829 0.00000000 1.0 Sn Sn21 1 0.61174883 0.78515511 0.50000000 1.0 Sn Sn22 1 0.30472171 0.42279367 0.00000000 1.0 Sn Sn23 1 0.38825117 0.21484489 0.50000000 1.0