data_[Mg1Te2Mo1W3Se4S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Te  2.1000  1.4000  1.2933
  Mo  2.1600  1.4500  0.7750
  W  2.3600  1.3500  0.7667
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.3362]
_cell_length_b [3.3362]
_cell_length_c [45.1762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [MgTe2MoW3(Se2S)2]
_chemical_formula_sum '[Mg1 Te2 Mo1 W3 Se4 S2]'
_cell_volume [435.4461]
_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  0.0000  0.0000  0.3788  1
  Te  Te1  1  0.3333  0.6667  0.0517  1
  Te  Te2  1  0.3333  0.6667  0.1358  1
  Mo  Mo3  1  0.0000  0.0000  0.0937  1
  W  W4  1  0.0000  0.0000  0.4786  1
  W  W5  1  0.3333  0.6667  0.2765  1
  W  W6  1  0.3333  0.6667  0.6575  1
  Se  Se7  1  0.0000  0.0000  0.2394  1
  Se  Se8  1  0.0000  0.0000  0.3138  1
  Se  Se9  1  0.0000  0.0000  0.6204  1
  Se  Se10  1  0.0000  0.0000  0.6946  1
  S  S11  1  0.3333  0.6667  0.4448  1
  S  S12  1  0.3333  0.6667  0.5122  1
]