data_[Er4Ga4Fe4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ga  1.8100  1.3000  0.7600
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5592]
_cell_length_b [3.9783]
_cell_length_c [4.9763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3604]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErGaFe]
_chemical_formula_sum '[Er4 Ga4 Fe4]'
_cell_volume [222.6452]
_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  0.1212  0.0000  0.3204  1
  Ga  Ga1  4  0.0831  0.5000  0.7967  1
  Fe  Fe2  4  0.2143  0.0000  0.8887  1
]