data_[Er6Zn8Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1079]
_cell_length_b [4.6067]
_cell_length_c [8.2690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7782]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3(Zn2Cu)2]
_chemical_formula_sum '[Er6 Zn8 Cu4]'
_cell_volume [341.9017]
_cell_formula_units_Z [2]
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  0.1187  0.5000  0.7111  1.0
  Er  Er1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.0801  0.0000  0.3858  1.0
  Zn  Zn3  4  0.1979  0.5000  0.0795  1.0
  Cu  Cu4  4  0.2071  0.5000  0.3808  1.0
]