data_[Er2Ag2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1135]
_cell_length_b [8.2688]
_cell_length_c [18.9876]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [ErAgTe2]
_chemical_formula_sum '[Er2 Ag2 Te4]'
_cell_volume [645.8415]
_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  1  0.0000  0.0000  0.4869  1
  Er  Er1  1  0.0000  0.5000  0.4383  1
  Ag  Ag2  2  0.5000  0.2987  0.5411  1
  Te  Te3  2  0.5000  0.2384  0.3958  1
  Te  Te4  1  0.0000  0.5000  0.5953  1
  Te  Te5  1  0.5000  0.0000  0.6058  1
]