data_[Er2Cu2Sn1Ge1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.3955]
_cell_length_b [4.3955]
_cell_length_c [7.1489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Er2Cu2SnGe]
_chemical_formula_sum '[Er2 Cu2 Sn1 Ge1]'
_cell_volume [119.6135]
_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  0.2795  1
  Er  Er1  1  0.0000  0.0000  0.7613  1
  Cu  Cu2  1  0.3333  0.6667  0.9485  1
  Cu  Cu3  1  0.6667  0.3333  0.4698  1
  Sn  Sn4  1  0.6667  0.3333  0.0412  1
  Ge  Ge5  1  0.3333  0.6667  0.5469  1
]