data_[Er4Mn12Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Mn  1.5500  1.4000  0.6483
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5575]
_cell_length_b [3.9249]
_cell_length_c [7.2861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.7089]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErMn3Ge2]
_chemical_formula_sum '[Er4 Mn12 Ge8]'
_cell_volume [375.0893]
_cell_formula_units_Z [4]
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  0.1431  0.0000  0.0609  1
  Mn  Mn1  4  0.0463  0.0000  0.3988  1
  Mn  Mn2  4  0.0833  0.5000  0.6283  1
  Mn  Mn3  4  0.1952  0.5000  0.4773  1
  Ge  Ge4  4  0.0218  0.5000  0.1876  1
  Ge  Ge5  4  0.2013  0.0000  0.7182  1
]