data_[Er2Lu2Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Lu  1.2700  1.7500  1.0010
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.4004]
_cell_length_b [5.3041]
_cell_length_c [6.9674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [ErLuCu2]
_chemical_formula_sum '[Er2 Lu2 Cu4]'
_cell_volume [162.6232]
_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  2  0.0000  0.3851  0.6810  1
  Lu  Lu1  2  0.5000  0.1147  0.3183  1
  Cu  Cu2  2  0.0000  0.1188  0.0344  1
  Cu  Cu3  2  0.5000  0.3768  0.9663  1
]