data_[Ta2Te2Mo1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Te  2.1000  1.4000  1.2933
  Mo  2.1600  1.4500  0.7750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.3959]
_cell_length_b [3.3959]
_cell_length_c [21.5086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ta2Te2MoS4]
_chemical_formula_sum '[Ta2 Te2 Mo1 S4]'
_cell_volume [214.8111]
_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
[
  Ta  Ta0  1  0.0000  0.0000  0.0275  1.0
  Ta  Ta1  1  0.6667  0.3333  0.3430  1.0
  Te  Te2  1  0.6667  0.3333  0.5825  1.0
  Te  Te3  1  0.6667  0.3333  0.7583  1.0
  Mo  Mo4  1  0.0000  0.0000  0.6705  1.0
  S  S5  1  0.0000  0.0000  0.2712  1.0
  S  S6  1  0.0000  0.0000  0.4153  1.0
  S  S7  1  0.6667  0.3333  0.0994  1.0
  S  S8  1  0.6667  0.3333  0.9553  1.0
]