data_[Er4Au4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3305]
_cell_length_b [3.7657]
_cell_length_c [11.0949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2174]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErAuCl]
_chemical_formula_sum '[Er4 Au4 Cl4]'
_cell_volume [360.8926]
_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
[
  Er  Er0  4  0.0087  0.0000  0.6702  1
  Au  Au1  4  0.1652  0.5000  0.5453  1
  Cl  Cl2  4  0.0727  0.5000  0.8497  1
]