data_mp-1434-CONTCAR
_audit_creation_method 'Created with Endeavour Version 1.8b'
_audit_creation_date	2019-11-18
_audit_update_record	2019-11-18
_chemical_formula_sum	'Mo3 S6'
_chemical_formula_weight	480.216
_cell_length_a	 7.3491
_cell_length_b	 7.3491
_cell_length_c	 7.3491
_cell_angle_alpha	25.059
_cell_angle_beta	25.059
_cell_angle_gamma	25.059
_cell_volume	187.9
_cell_formula_units_Z	1
_symmetry_int_tables_number	160
_symmetry_space_group_name_H-M	'R 3 m'
_symmetry_space_group_name_Hall	'P_3*_-2'

loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 z,x,y
3 y,z,x
4 y,x,z
5 x,z,y
6 z,y,x

loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_radius_bond
Mo	?	1.200
S	?	1.200


loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_attached_hydrogens
_atom_site_calc_flag
_atom_site_thermal_displace_type
_atom_site_u_iso_or_equiv
Mo1 Mo  0.0002  0.0002  0.0002  1.000 1 a ? d ? ?
S1 S  0.5938  0.5938  0.5938  1.000 1 a ? d ? ?
S1 S  0.7400  0.7400  0.7400  1.000 1 a ? d ? ?

