# generated using pymatgen data_Cs2MnSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.85700304 _cell_length_b 8.85701927 _cell_length_c 8.85692808 _cell_angle_alpha 134.94190576 _cell_angle_beta 129.17726424 _cell_angle_gamma 70.23778015 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs2MnSe2 _chemical_formula_sum 'Cs4 Mn2 Se4' _cell_volume 373.76056427 _cell_formula_units_Z 2 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 Cs Cs0 1 0.51701605 0.85239141 0.66462439 1.0 Cs Cs1 1 0.48297463 0.14760773 0.33536776 1.0 Cs Cs2 1 0.81222612 0.64760179 0.16461538 1.0 Cs Cs3 1 0.18776337 0.35239618 0.83537535 1.0 Mn Mn4 1 0.00000644 0.25001851 0.25001553 1.0 Mn Mn5 1 -0.00000683 0.74998776 0.74997924 1.0 Se Se6 1 0.08091103 0.90334308 0.17758386 1.0 Se Se7 1 0.72576959 0.40333861 0.32242934 1.0 Se Se8 1 0.91909546 0.09665214 0.82241826 1.0 Se Se9 1 0.27424514 0.59666279 0.67759190 1.0