data_[Y4In4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1629]
_cell_length_b [4.4149]
_cell_length_c [7.6664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7016]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YInTe2]
_chemical_formula_sum '[Y4 In4 Te8]'
_cell_volume [570.8006]
_cell_formula_units_Z [4]
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
[
  Y  Y0  4  0.2481  0.0000  0.7514  1.0
  In  In1  4  0.0195  0.5000  0.7990  1.0
  Te  Te2  4  0.1435  0.0000  0.0400  1.0
  Te  Te3  4  0.1456  0.5000  0.5389  1.0
]