# generated using pymatgen data_Ca7VN6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.13506110 _cell_length_b 6.32763812 _cell_length_c 12.92723831 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca7VN6 _chemical_formula_sum 'Ca28 V4 N24' _cell_volume 910.83559259 _cell_formula_units_Z 4 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 0.03579039 0.72910480 0.98068230 1.0 Ca Ca1 1 0.46420961 0.77089520 0.48068230 1.0 Ca Ca2 1 0.53579039 0.77089520 0.01931770 1.0 Ca Ca3 1 0.96420961 0.72910480 0.51931770 1.0 Ca Ca4 1 0.96420961 0.27089520 0.01931770 1.0 Ca Ca5 1 0.53579039 0.22910480 0.51931770 1.0 Ca Ca6 1 0.46420961 0.22910480 0.98068230 1.0 Ca Ca7 1 0.03579039 0.27089520 0.48068230 1.0 Ca Ca8 1 0.23150347 0.84130725 0.62846684 1.0 Ca Ca9 1 0.26849653 0.65869275 0.12846684 1.0 Ca Ca10 1 0.73150347 0.65869275 0.37153316 1.0 Ca Ca11 1 0.76849653 0.84130725 0.87153316 1.0 Ca Ca12 1 0.76849653 0.15869275 0.37153316 1.0 Ca Ca13 1 0.73150347 0.34130725 0.87153316 1.0 Ca Ca14 1 0.26849653 0.34130725 0.62846684 1.0 Ca Ca15 1 0.23150347 0.15869275 0.12846684 1.0 Ca Ca16 1 0.28674020 0.60990189 0.88042862 1.0 Ca Ca17 1 0.21325980 0.89009811 0.38042862 1.0 Ca Ca18 1 0.78674020 0.89009811 0.11957138 1.0 Ca Ca19 1 0.71325980 0.60990189 0.61957138 1.0 Ca Ca20 1 0.71325980 0.39009811 0.11957138 1.0 Ca Ca21 1 0.78674020 0.10990189 0.61957138 1.0 Ca Ca22 1 0.21325980 0.10990189 0.88042862 1.0 Ca Ca23 1 0.28674020 0.39009811 0.38042862 1.0 Ca Ca24 1 0.00000000 0.45132475 0.75000000 1.0 Ca Ca25 1 0.50000000 0.04867525 0.25000000 1.0 Ca Ca26 1 0.00000000 0.54867525 0.25000000 1.0 Ca Ca27 1 0.50000000 0.95132475 0.75000000 1.0 V V28 1 0.00000000 0.95013445 0.75000000 1.0 V V29 1 0.50000000 0.54986555 0.25000000 1.0 V V30 1 0.00000000 0.04986555 0.25000000 1.0 V V31 1 0.50000000 0.45013445 0.75000000 1.0 N N32 1 0.12157953 0.77720959 0.79967165 1.0 N N33 1 0.37842047 0.72279041 0.29967165 1.0 N N34 1 0.62157953 0.72279041 0.20032835 1.0 N N35 1 0.87842047 0.77720959 0.70032835 1.0 N N36 1 0.87842047 0.22279041 0.20032835 1.0 N N37 1 0.62157953 0.27720959 0.70032835 1.0 N N38 1 0.37842047 0.27720959 0.79967165 1.0 N N39 1 0.12157953 0.22279041 0.29967165 1.0 N N40 1 0.16304631 0.58776971 0.50437606 1.0 N N41 1 0.33695369 0.91223029 0.00437606 1.0 N N42 1 0.66304631 0.91223029 0.49562394 1.0 N N43 1 0.83695369 0.58776971 0.99562394 1.0 N N44 1 0.83695369 0.41223029 0.49562394 1.0 N N45 1 0.66304631 0.08776971 0.99562394 1.0 N N46 1 0.33695369 0.08776971 0.50437606 1.0 N N47 1 0.16304631 0.41223029 0.00437606 1.0 N N48 1 0.43596709 0.61839737 0.64832233 1.0 N N49 1 0.06403291 0.88160263 0.14832233 1.0 N N50 1 0.93596709 0.88160263 0.35167767 1.0 N N51 1 0.56403291 0.61839737 0.85167767 1.0 N N52 1 0.56403291 0.38160263 0.35167767 1.0 N N53 1 0.93596709 0.11839737 0.85167767 1.0 N N54 1 0.06403291 0.11839737 0.64832233 1.0 N N55 1 0.43596709 0.38160263 0.14832233 1.0