data_[Cr6Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [6.8865]
_cell_length_b [6.8865]
_cell_length_c [18.9367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [CrTe]
_chemical_formula_sum '[Cr6 Te6]'
_cell_volume [777.7370]
_cell_formula_units_Z [6]
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
[
  Cr  Cr0  6  0.1727  0.7779  0.4986  1
  Te  Te1  3  0.0000  0.4457  0.5999  1
  Te  Te2  2  0.3333  0.6667  0.3920  1
  Te  Te3  1  0.0000  0.0000  0.4246  1
]