data_MoS2-1T-147
_audit_creation_date              2019-06-12
_audit_creation_method            'Materials Studio'
_symmetry_space_group_name_H-M    'P-3'
_symmetry_Int_Tables_number       147
_symmetry_cell_setting            trigonal
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  -y,x-y,z
  -x+y,-x,z
  -x,-y,-z
  y,-x+y,-z
  x-y,x,-z
_cell_length_a                    3.1900
_cell_length_b                    3.1900
_cell_length_c                    5.9450
_cell_angle_alpha                 90.0000
_cell_angle_beta                  90.0000
_cell_angle_gamma                 120.0000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
 Mo    Mo    0.00000   0.00000   0.00000   0.00000  Uiso   1.00
S      S     0.33333   0.66667   0.24880   0.00000  Uiso   1.00
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_ccdc_geom_bond_type
 Mo    S       2.362   .     S
 Mo    S       2.362   1_445 S
 Mo    S       2.362   1_545 S
 Mo    S       2.362   4     S
 Mo    S       2.362   4_665 S
 Mo    S       2.362   4_565 S
S       Mo     2.362   1_665 S
S       Mo     2.362   1_565 S
