data_[Sc2Cu2Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.1859]
_cell_length_b [3.9117]
_cell_length_c [8.7614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9100]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ScCuGe2]
_chemical_formula_sum '[Sc2 Cu2 Ge4]'
_cell_volume [141.3192]
_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
[
  Sc  Sc0  2  0.1763  0.7500  0.2253  1
  Cu  Cu1  2  0.3035  0.7500  0.6683  1
  Ge  Ge2  2  0.2545  0.2500  0.4936  1
  Ge  Ge3  2  0.3366  0.7500  0.9357  1
]