data_[Ta2Te2Mo1Se4]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.4963]
_cell_length_b [3.4963]
_cell_length_c [21.9914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ta2Te2MoSe4]
_chemical_formula_sum '[Ta2 Te2 Mo1 Se4]'
_cell_volume [232.8130]
_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  0.0265  1.0
  Ta  Ta1  1  0.6667  0.3333  0.3442  1.0
  Te  Te2  1  0.6667  0.3333  0.5868  1.0
  Te  Te3  1  0.6667  0.3333  0.7538  1.0
  Mo  Mo4  1  0.0000  0.0000  0.6703  1.0
  Se  Se5  1  0.0000  0.0000  0.2681  1.0
  Se  Se6  1  0.0000  0.0000  0.4203  1.0
  Se  Se7  1  0.6667  0.3333  0.1025  1.0
  Se  Se8  1  0.6667  0.3333  0.9503  1.0
]