data_[Er3Sc1Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.5330]
_cell_length_b [5.0676]
_cell_length_c [10.1151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Er3ScAg4]
_chemical_formula_sum '[Er3 Sc1 Ag4]'
_cell_volume [181.0975]
_cell_formula_units_Z [1]
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  0.5000  0.0000  0.2469  1
  Er  Er1  1  0.5000  0.5000  0.5000  1
  Sc  Sc2  1  0.5000  0.5000  0.0000  1
  Ag  Ag3  2  0.0000  0.5000  0.2395  1
  Ag  Ag4  1  0.0000  0.0000  0.0000  1
  Ag  Ag5  1  0.0000  0.0000  0.5000  1
]