data_[Ta2Cr1Te4Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.6175]
_cell_length_b [3.6175]
_cell_length_c [21.8232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ta2Cr(Te2Se)2]
_chemical_formula_sum '[Ta2 Cr1 Te4 Se2]'
_cell_volume [247.3292]
_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  0.9842  1
  Ta  Ta1  1  0.6667  0.3333  0.6416  1
  Cr  Cr2  1  0.0000  0.0000  0.3328  1
  Te  Te3  1  0.0000  0.0000  0.5563  1
  Te  Te4  1  0.0000  0.0000  0.7276  1
  Te  Te5  1  0.6667  0.3333  0.0700  1
  Te  Te6  1  0.6667  0.3333  0.8987  1
  Se  Se7  1  0.6667  0.3333  0.2648  1
  Se  Se8  1  0.6667  0.3333  0.4011  1
]