data_[Y4Er12Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3441]
_cell_length_b [3.7252]
_cell_length_c [10.0049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8363]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YEr3Te]
_chemical_formula_sum '[Y4 Er12 Te4]'
_cell_volume [621.8852]
_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  0.2020  0.5000  0.3384  1
  Er  Er1  4  0.0021  0.0000  0.2087  1
  Er  Er2  4  0.1001  0.0000  0.5438  1
  Er  Er3  4  0.1764  0.5000  0.8418  1
  Te  Te4  4  0.1375  0.0000  0.0660  1
]