# generated using pymatgen
data_MgTe4Mo4(SeS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39942403
_cell_length_b   3.39936626
_cell_length_c   45.13679542
_cell_angle_alpha   90.04204322
_cell_angle_beta   89.99017348
_cell_angle_gamma   120.00865522
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTe4Mo4(SeS)2
_chemical_formula_sum   'Mg1 Te4 Mo4 Se2 S2'
_cell_volume   451.67561159
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  '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
  Mg  Mg0  1  0.99920000  0.99815100  0.55401800  1.0
  Te  Te1  1  0.33352700  0.66718100  0.32345100  1.0
  Te  Te2  1  0.33313900  0.66654600  0.70558200  1.0
  Te  Te3  1  0.33344200  0.66673300  0.24041100  1.0
  Te  Te4  1  0.33313100  0.66611300  0.62226600  1.0
  Mo  Mo5  1  0.33344100  0.66680000  0.09389300  1.0
  Mo  Mo6  1  0.33359600  0.66721900  0.46226700  1.0
  Mo  Mo7  1  0.66678400  0.33362800  0.28189600  1.0
  Mo  Mo8  1  0.66642100  0.33298900  0.66413500  1.0
  Se  Se9  1  0.66665300  0.33312000  0.05738800  1.0
  Se  Se10  1  0.66681900  0.33375500  0.13044900  1.0
  S  S11  1  0.66667900  0.33321200  0.42925000  1.0
  S  S12  1  0.66716700  0.33455100  0.49582600  1.0