data_[Er6Co6Ge16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Co  1.8800  1.3500  0.7683
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9451]
_cell_length_b [3.9492]
_cell_length_c [7.7299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9742]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3Co3Ge8]
_chemical_formula_sum '[Er6 Co6 Ge16]'
_cell_volume [504.3650]
_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
[
  Er  Er0  4  0.2491  0.5000  0.6934  1
  Er  Er1  2  0.0000  0.0000  0.0000  1
  Co  Co2  4  0.1535  0.5000  0.9884  1
  Co  Co3  2  0.0000  0.0000  0.5000  1
  Ge  Ge4  4  0.0413  0.5000  0.7018  1
  Ge  Ge5  4  0.1209  0.0000  0.4694  1
  Ge  Ge6  4  0.1223  0.5000  0.2518  1
  Ge  Ge7  4  0.1895  0.0000  0.8859  1
]