data_[Er4Sn4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7653]
_cell_length_b [4.5607]
_cell_length_c [8.1443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3530]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErSnTe3]
_chemical_formula_sum '[Er4 Sn4 Te12]'
_cell_volume [675.2564]
_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
[
  Er  Er0  4  0.2198  0.0000  0.2481  1.0
  Sn  Sn1  4  0.0469  0.5000  0.6971  1.0
  Te  Te2  4  0.0375  0.0000  0.1764  1.0
  Te  Te3  4  0.1685  0.5000  0.9949  1.0
  Te  Te4  4  0.1708  0.0000  0.5806  1.0
]