data_[Tb2Mg1Cu4Ge3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.0977]
_cell_length_b [4.0977]
_cell_length_c [10.4077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Tb2MgCu4Ge3]
_chemical_formula_sum '[Tb2 Mg1 Cu4 Ge3]'
_cell_volume [174.7574]
_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
[
  Tb  Tb0  2  0.0000  0.5000  0.7676  1.0
  Mg  Mg1  1  0.5000  0.5000  0.5000  1.0
  Cu  Cu2  2  0.0000  0.5000  0.3575  1.0
  Cu  Cu3  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu4  1  0.5000  0.5000  0.0000  1.0
  Ge  Ge5  2  0.0000  0.5000  0.1320  1.0
  Ge  Ge6  1  0.0000  0.0000  0.5000  1.0
]