data_[Er18Cu12]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0691]
_cell_length_b [4.6073]
_cell_length_c [10.0589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0136]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3Cu2]
_chemical_formula_sum '[Er18 Cu12]'
_cell_volume [698.2537]
_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  0.0407  0.5000  0.3333  1.0
  Er  Er1  4  0.1103  0.0000  0.5849  1.0
  Er  Er2  4  0.1571  0.0000  0.9383  1.0
  Er  Er3  4  0.2274  0.0000  0.2743  1.0
  Er  Er4  2  0.0000  0.5000  0.0000  1.0
  Cu  Cu5  4  0.0447  0.0000  0.1669  1.0
  Cu  Cu6  4  0.1628  0.5000  0.1275  1.0
  Cu  Cu7  4  0.2081  0.5000  0.4630  1.0
]