data_[Er12Ag2Se10]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0392]
_cell_length_b [12.2222]
_cell_length_c [7.0336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6530]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6AgSe5]
_chemical_formula_sum '[Er12 Ag2 Se10]'
_cell_volume [569.8817]
_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  8  0.2480  0.1672  0.2473  1
  Er  Er1  4  0.2492  0.0000  0.7495  1
  Ag  Ag2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.0000  0.1699  0.5000  1
  Se  Se4  4  0.0000  0.3350  0.0000  1
  Se  Se5  2  0.0000  0.5000  0.5000  1
]