data_[Er3Zn4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zn  1.6500  1.3500  0.8800
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.0304]
_cell_length_b [4.1630]
_cell_length_c [12.9771]
_cell_angle_alpha [99.1987]
_cell_angle_beta [98.4919]
_cell_angle_gamma [90.0098]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Er3(ZnGe)4]
_chemical_formula_sum '[Er3 Zn4 Ge4]'
_cell_volume [212.5124]
_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  2  0.1411  0.6400  0.2862  1.0
  Er  Er1  1  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  2  0.2561  0.2553  0.5022  1.0
  Zn  Zn3  2  0.4667  0.9083  0.8140  1.0
  Ge  Ge4  2  0.3069  0.8165  0.6242  1.0
  Ge  Ge5  2  0.4059  0.4532  0.9032  1.0
]