data_[Er1Lu1Cu2Se2O2]
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
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.8142]
_cell_length_b [3.8142]
_cell_length_c [8.7104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [ErLuCu2(SeO)2]
_chemical_formula_sum '[Er1 Lu1 Cu2 Se2 O2]'
_cell_volume [126.7178]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.8725  1
  Lu  Lu1  1  0.5000  0.5000  0.1242  1
  Cu  Cu2  2  0.0000  0.5000  0.4994  1
  Se  Se3  1  0.0000  0.0000  0.3139  1
  Se  Se4  1  0.5000  0.5000  0.6862  1
  O  O5  2  0.0000  0.5000  0.0022  1
]