data_mp-1023924_MoS2-CONTCAR-100
_audit_creation_date              2019-06-12
_audit_creation_method            'Materials Studio'
_symmetry_space_group_name_H-M    'P-6M2'
_symmetry_Int_Tables_number       187
_symmetry_cell_setting            hexagonal
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
  -y,-x,z
  -x+y,y,z
  x,x-y,z
  -y,-x,-z
  -x+y,y,-z
  x,x-y,-z
_cell_length_a                    3.1881
_cell_length_b                    3.1881
_cell_length_c                    17.4639
_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
Mo1    Mo    0.00000   0.00000   0.00000   0.00000  Uiso   1.00
S1     S     0.33333   0.66667   0.08937   0.00000  Uiso   1.00
