data_[Er1Th1Cu1Tc1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
  Cu  1.9000  1.3500  0.8200
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.4947]
_cell_length_b [3.4947]
_cell_length_c [7.0978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [ErThCuTc]
_chemical_formula_sum '[Er1 Th1 Cu1 Tc1]'
_cell_volume [86.6868]
_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  0.5000  0.5000  0.6042  1
  Th  Th1  1  0.5000  0.5000  0.1256  1
  Tc  Tc2  1  0.0000  0.0000  0.3596  1
  Cu  Cu3  1  0.0000  0.0000  0.8386  1
]