# generated using pymatgen data_CaMnN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40803300 _cell_length_b 10.46227700 _cell_length_c 14.82272200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMnN2 _chemical_formula_sum 'Ca16 Mn16 N32' _cell_volume 838.67463968 _cell_formula_units_Z 16 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 0.72473500 0.01443400 0.43158600 1.0 Ca Ca1 1 0.22473500 0.48556600 0.56841400 1.0 Ca Ca2 1 0.27526500 0.51443400 0.06841400 1.0 Ca Ca3 1 0.77526500 0.98556600 0.93158600 1.0 Ca Ca4 1 0.27526500 0.98556600 0.56841400 1.0 Ca Ca5 1 0.77526500 0.51443400 0.43158600 1.0 Ca Ca6 1 0.72473500 0.48556600 0.93158600 1.0 Ca Ca7 1 0.22473500 0.01443400 0.06841400 1.0 Ca Ca8 1 0.90035300 0.28009500 0.31093300 1.0 Ca Ca9 1 0.40035300 0.21990500 0.68906700 1.0 Ca Ca10 1 0.09964700 0.78009500 0.18906700 1.0 Ca Ca11 1 0.59964700 0.71990500 0.81093300 1.0 Ca Ca12 1 0.09964700 0.71990500 0.68906700 1.0 Ca Ca13 1 0.59964700 0.78009500 0.31093300 1.0 Ca Ca14 1 0.90035300 0.21990500 0.81093300 1.0 Ca Ca15 1 0.40035300 0.28009500 0.18906700 1.0 Mn Mn16 1 0.72031000 0.01119400 0.18833700 1.0 Mn Mn17 1 0.22031000 0.48880600 0.81166300 1.0 Mn Mn18 1 0.27969000 0.51119400 0.31166300 1.0 Mn Mn19 1 0.77969000 0.98880600 0.68833700 1.0 Mn Mn20 1 0.27969000 0.98880600 0.81166300 1.0 Mn Mn21 1 0.77969000 0.51119400 0.18833700 1.0 Mn Mn22 1 0.72031000 0.48880600 0.68833700 1.0 Mn Mn23 1 0.22031000 0.01119400 0.31166300 1.0 Mn Mn24 1 0.84767100 0.27044300 0.06218000 1.0 Mn Mn25 1 0.34767100 0.22955700 0.93782000 1.0 Mn Mn26 1 0.15232900 0.77044300 0.43782000 1.0 Mn Mn27 1 0.65232900 0.72955700 0.56218000 1.0 Mn Mn28 1 0.15232900 0.72955700 0.93782000 1.0 Mn Mn29 1 0.65232900 0.77044300 0.06218000 1.0 Mn Mn30 1 0.84767100 0.22955700 0.56218000 1.0 Mn Mn31 1 0.34767100 0.27044300 0.43782000 1.0 N N32 1 0.59632100 0.46334700 0.28383800 1.0 N N33 1 0.09632100 0.03665300 0.71616200 1.0 N N34 1 0.40367900 0.96334700 0.21616200 1.0 N N35 1 0.90367900 0.53665300 0.78383800 1.0 N N36 1 0.40367900 0.53665300 0.71616200 1.0 N N37 1 0.90367900 0.96334700 0.28383800 1.0 N N38 1 0.59632100 0.03665300 0.78383800 1.0 N N39 1 0.09632100 0.46334700 0.21616200 1.0 N N40 1 0.68568500 0.27595200 0.45716600 1.0 N N41 1 0.18568500 0.22404800 0.54283400 1.0 N N42 1 0.31431500 0.77595200 0.04283400 1.0 N N43 1 0.81431500 0.72404800 0.95716600 1.0 N N44 1 0.31431500 0.72404800 0.54283400 1.0 N N45 1 0.81431500 0.77595200 0.45716600 1.0 N N46 1 0.68568500 0.22404800 0.95716600 1.0 N N47 1 0.18568500 0.27595200 0.04283400 1.0 N N48 1 0.69288800 0.42596900 0.08732200 1.0 N N49 1 0.19288800 0.07403100 0.91267800 1.0 N N50 1 0.30711200 0.92596900 0.41267800 1.0 N N51 1 0.80711200 0.57403100 0.58732200 1.0 N N52 1 0.30711200 0.57403100 0.91267800 1.0 N N53 1 0.80711200 0.92596900 0.08732200 1.0 N N54 1 0.69288800 0.07403100 0.58732200 1.0 N N55 1 0.19288800 0.42596900 0.41267800 1.0 N N56 1 0.78119100 0.17405500 0.16179600 1.0 N N57 1 0.28119100 0.32594500 0.83820400 1.0 N N58 1 0.21880900 0.67405500 0.33820400 1.0 N N59 1 0.71880900 0.82594500 0.66179600 1.0 N N60 1 0.21880900 0.82594500 0.83820400 1.0 N N61 1 0.71880900 0.67405500 0.16179600 1.0 N N62 1 0.78119100 0.32594500 0.66179600 1.0 N N63 1 0.28119100 0.17405500 0.33820400 1.0