data_image0
_chemical_formula_structural Nb2P2Se6
_chemical_formula_sum "Nb2 P2 Se6"
_cell_length_a 3.753021298387121
_cell_length_b 8.770698632165438
_cell_length_c 8.770698632165436
_cell_angle_alpha 120.00000000000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_number 1
loop_
_space_group_symop_operation_xyz
'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
Nb Nb1 1.0 0.7499999999999999 0.33333333333333337 0.6666666666666667 1.0000
Nb Nb2 1.0 0.24999999999999997 0.6666666666666666 0.33333333333333337 1.0000
P P1 1.0 0.49999999999999994 4.599402756307655e-30 0.0 1.0000
P P2 1.0 0.0 0.0 8.10950514882401e-31 1.0000
Se Se1 1.0 0.24999999999999992 0.21286844292242613 0.7871315570775788 1.0000
Se Se2 1.0 0.24999999999999994 0.2128684429224246 0.42573688584484914 1.0000
Se Se3 1.0 0.24999999999999997 0.5742631141551525 0.7871315570775788 1.0000
Se Se4 1.0 0.7499999999999999 0.7871315570775801 0.2128684429224244 1.0000
Se Se5 1.0 0.75 0.7871315570775764 0.5742631141551527 1.0000
Se Se6 1.0 0.7499999999999998 0.4257368858448488 0.21286844292242446 1.0000