data_[Al2Cr2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cr  1.6600  1.4000  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [18.8062]
_cell_length_b [7.8488]
_cell_length_c [6.6719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [AlCrTe3]
_chemical_formula_sum '[Al2 Cr2 Te6]'
_cell_volume [984.8116]
_cell_formula_units_Z [2]
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
[
  Al  Al0  2  0.0000  0.1788  0.3866  1
  Cr  Cr1  2  0.0000  0.4388  0.7935  1
  Te  Te2  4  0.1012  0.3833  0.5093  1
  Te  Te3  2  0.0000  0.1437  0.9944  1
]