data_[Zn7Te7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.2743]
_cell_length_b [19.4262]
_cell_length_c [19.4262]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ZnTe]
_chemical_formula_sum '[Zn7 Te7]'
_cell_volume [1396.9273]
_cell_formula_units_Z [7]
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
[
  Zn  Zn0  1  0.0536  0.8987  0.5546  1
  Zn  Zn1  1  0.4109  0.1702  0.4725  1
  Zn  Zn2  1  0.4229  0.9541  0.4070  1
  Zn  Zn3  1  0.4693  0.0431  0.7082  1
  Zn  Zn4  1  0.7822  0.7928  0.3873  1
  Zn  Zn5  1  0.9141  0.9614  0.3122  1
  Zn  Zn6  1  0.9490  0.1615  0.6309  1
  Te  Te7  1  0.2741  0.7610  0.4478  1
  Te  Te8  1  0.4036  0.0486  0.3249  1
  Te  Te9  1  0.4498  0.1799  0.7181  1
  Te  Te10  1  0.6405  0.8266  0.2771  1
  Te  Te11  1  0.9129  0.2409  0.5513  1
  Te  Te12  1  0.9341  0.0010  0.5029  1
  Te  Te13  1  0.9677  0.9601  0.7053  1
]