data_[Sr6Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P6_5]
_cell_length_a [19.8002]
_cell_length_b [19.8002]
_cell_length_c [4.5613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [170]
_chemical_formula_structural [SrTe]
_chemical_formula_sum '[Sr6 Te6]'
_cell_volume [1548.6536]
_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
[
  Sr  Sr0  6  0.0700  0.2538  0.0143  1
  Te  Te1  6  0.0606  0.7936  0.9742  1
]