data_VESTA_phase_1

_chemical_name_common ''
_cell_length_a 4.456000
_cell_length_b 4.456000
_cell_length_c 5.921000
_cell_angle_alpha 90.000000
_cell_angle_beta 90.000000
_cell_angle_gamma 120.000000
_cell_volume 101.815999
_space_group_name_H-M_alt 'P 31 2 1'
_space_group_IT_number 152

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z+1/3'
'-x+y, -x, z+2/3'
'y, x, -z'
'x-y, -y, -z+2/3'
'-x, -x+y, -z+1/3'

loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
Te1 0.5 -0.263600 0.000000 0.333333 Biso ? Te
Se1 0.5 -0.263600 0.000000 0.333333 Biso ? Se
