# generated using pymatgen data_Ca3SmV4O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34727387 _cell_length_b 7.55346026 _cell_length_c 5.43733608 _cell_angle_alpha 89.92125396 _cell_angle_beta 90.91203303 _cell_angle_gamma 89.68098832 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3SmV4O12 _chemical_formula_sum 'Ca3 Sm1 V4 O12' _cell_volume 219.58482978 _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 0.48777118 0.74921221 0.45738222 1.0 Ca Ca1 1 0.51192550 0.25010002 0.54288240 1.0 Ca Ca2 1 0.99423288 0.25022322 0.03896642 1.0 Sm Sm3 1 0.00710883 0.75030509 0.95410834 1.0 V V4 1 0.50191919 0.49747139 0.00202475 1.0 V V5 1 0.99845200 0.49532447 0.49853835 1.0 V V6 1 0.99781057 0.00201184 0.49715661 1.0 V V7 1 0.50066553 0.00455985 0.00088812 1.0 O O8 1 0.92620156 0.74547134 0.51370238 1.0 O O9 1 0.57501642 0.75442055 0.01865778 1.0 O O10 1 0.07267671 0.25492702 0.48656285 1.0 O O11 1 0.43057037 0.24531043 0.98177302 1.0 O O12 1 0.79151626 0.46515235 0.79065914 1.0 O O13 1 0.71746184 0.03872237 0.29237687 1.0 O O14 1 0.28947035 0.54234201 0.72023759 1.0 O O15 1 0.20878093 0.96031327 0.20826866 1.0 O O16 1 0.20751455 0.53999113 0.20939658 1.0 O O17 1 0.28084969 0.95733655 0.71006179 1.0 O O18 1 0.70580833 0.46187695 0.28343382 1.0 O O19 1 0.79424632 0.03493494 0.79292830 1.0