data_[Er1Te4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.4531]
_cell_length_b [7.7144]
_cell_length_c [7.7266]
_cell_angle_alpha [78.7156]
_cell_angle_beta [66.7450]
_cell_angle_gamma [75.6475]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Er(Te2Cl3)2]
_chemical_formula_sum '[Er1 Te4 Cl6]'
_cell_volume [393.0264]
_cell_formula_units_Z [1]
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
[
  Er  Er0  1  0.0000  0.0000  0.0000  1.0
  Te  Te1  2  0.3400  0.7410  0.5095  1.0
  Te  Te2  2  0.3890  0.4507  0.3289  1.0
  Cl  Cl3  2  0.0193  0.2605  0.1674  1.0
  Cl  Cl4  2  0.0559  0.7657  0.2772  1.0
  Cl  Cl5  2  0.3840  0.9550  0.7985  1.0
]