data_[Er3Tm1Ge2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Ge  2.0100  1.2500  0.7700
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.5457]
_cell_length_b [3.5457]
_cell_length_c [14.8020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Er3Tm(GeC)2]
_chemical_formula_sum '[Er3 Tm1 Ge2 C2]'
_cell_volume [161.1593]
_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  0.4095  1
  Er  Er1  1  0.3333  0.6667  0.5903  1
  Er  Er2  1  0.3333  0.6667  0.9103  1
  Tm  Tm3  1  0.0000  0.0000  0.0900  1
  Ge  Ge4  1  0.0000  0.0000  0.7502  1
  Ge  Ge5  1  0.3333  0.6667  0.2493  1
  C  C6  1  0.6667  0.3333  0.0006  1
  C  C7  1  0.6667  0.3333  0.4999  1
]