data_[Zr1Co1Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Co  1.8800  1.3500  0.7683
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.2234]
_cell_length_b [4.2234]
_cell_length_c [7.0317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [ZrCoTe2]
_chemical_formula_sum '[Zr1 Co1 Te2]'
_cell_volume [108.6193]
_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
[
  Zr  Zr0  1  0.0000  0.0000  0.6730  1.0
  Co  Co1  1  0.3333  0.6667  0.5228  1.0
  Te  Te2  1  0.3333  0.6667  0.9038  1.0
  Te  Te3  1  0.6667  0.3333  0.4004  1.0
]