data_[Ta8Co8Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Co  1.8800  1.3500  0.7683
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [7.7577]
_cell_length_b [15.5187]
_cell_length_c [6.3063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [TaCoTe2]
_chemical_formula_sum '[Ta8 Co8 Te16]'
_cell_volume [759.2219]
_cell_formula_units_Z [8]
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  8  0.2050  0.0000  0.0000  1.0
  Co  Co1  8  0.0000  0.0540  0.3535  1.0
  Te  Te2  8  0.0000  0.1090  0.7466  1.0
  Te  Te3  8  0.2500  0.1519  0.2500  1.0
]