data_[Er2Tl2Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.5719]
_cell_length_b [4.7096]
_cell_length_c [6.3405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4526]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ErTlCu]
_chemical_formula_sum '[Er2 Tl2 Cu2]'
_cell_volume [128.7280]
_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  0.3935  0.2500  0.2777  1.0
  Tl  Tl1  2  0.1264  0.2500  0.7075  1.0
  Cu  Cu2  2  0.2249  0.7500  0.0117  1.0
]