data_[Er6In6Cu6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [12.9853]
_cell_length_b [3.9073]
_cell_length_c [7.4800]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [ErInCu]
_chemical_formula_sum '[Er6 In6 Cu6]'
_cell_volume [379.5134]
_cell_formula_units_Z [6]
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  0.0454  0.0000  0.7733  1
  Er  Er1  2  0.2500  0.0000  0.1501  1
  In  In2  4  0.1189  0.5000  0.4304  1
  In  In3  2  0.2500  0.5000  0.8097  1
  Cu  Cu4  4  0.0903  0.5000  0.0585  1
  Cu  Cu5  2  0.2500  0.0000  0.5578  1
]