data_[Y2Te4Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.1623]
_cell_length_b [4.0524]
_cell_length_c [5.8776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4110]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [YTe2Cl]
_chemical_formula_sum '[Y2 Te4 Cl2]'
_cell_volume [279.2664]
_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
[
  Y  Y0  2  0.0004  0.5000  0.3993  1
  Te  Te1  2  0.1582  0.0000  0.7375  1
  Te  Te2  2  0.4978  0.5000  0.9979  1
  Cl  Cl3  2  0.3435  0.5000  0.3653  1
]