data_[Er1Cu1Ag2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.8143]
_cell_length_b [6.8510]
_cell_length_c [6.9350]
_cell_angle_alpha [60.8088]
_cell_angle_beta [66.1977]
_cell_angle_gamma [77.9628]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ErCu(AgCl3)2]
_chemical_formula_sum '[Er1 Cu1 Ag2 Cl6]'
_cell_volume [258.5712]
_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  1  0.0661  0.0278  0.9551  1.0
  Cu  Cu1  1  0.4346  0.3746  0.0905  1.0
  Ag  Ag2  1  0.0966  0.7013  0.6038  1.0
  Ag  Ag3  1  0.7342  0.3591  0.4417  1.0
  Cl  Cl4  1  0.2927  0.0610  0.1693  1.0
  Cl  Cl5  1  0.3031  0.3437  0.5400  1.0
  Cl  Cl6  1  0.3156  0.7112  0.8663  1.0
  Cl  Cl7  1  0.7957  0.3512  0.0367  1.0
  Cl  Cl8  1  0.8292  0.9968  0.7545  1.0
  Cl  Cl9  1  0.8296  0.7365  0.3669  1.0
]