data_[Er12Zn2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zn  1.6500  1.3500  0.8800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.8870]
_cell_length_b [3.9515]
_cell_length_c [12.6147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0267]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Er6ZnTe3]
_chemical_formula_sum '[Er12 Zn2 Te6]'
_cell_volume [574.8626]
_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
[
  Er  Er0  2  0.0536  0.2500  0.8665  1.0
  Er  Er1  2  0.1082  0.7500  0.4591  1.0
  Er  Er2  2  0.2098  0.2500  0.2427  1.0
  Er  Er3  2  0.2402  0.2500  0.6964  1.0
  Er  Er4  2  0.4189  0.7500  0.1155  1.0
  Er  Er5  2  0.4857  0.7500  0.6503  1.0
  Zn  Zn6  2  0.0408  0.7500  0.6862  1.0
  Te  Te7  2  0.1596  0.7500  0.0475  1.0
  Te  Te8  2  0.3287  0.2500  0.4866  1.0
  Te  Te9  2  0.3821  0.7500  0.8611  1.0
]