data_[Ce4Er2Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.2757]
_cell_length_b [4.2533]
_cell_length_c [11.1537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6660]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce2ErGe]
_chemical_formula_sum '[Ce4 Er2 Ge2]'
_cell_volume [199.3338]
_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
[
  Ce  Ce0  2  0.0191  0.2500  0.1278  1.0
  Ce  Ce1  2  0.4016  0.2500  0.8777  1.0
  Er  Er2  2  0.3038  0.7500  0.6050  1.0
  Ge  Ge3  2  0.1759  0.7500  0.3367  1.0
]