data_[Er4Zn12Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1799]
_cell_length_b [4.2268]
_cell_length_c [7.5817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7252]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErZn3Ga2]
_chemical_formula_sum '[Er4 Zn12 Ga8]'
_cell_volume [434.4921]
_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  0.1415  0.0000  0.0754  1.0
  Zn  Zn1  4  0.0322  0.0000  0.3684  1.0
  Zn  Zn2  4  0.1229  0.5000  0.7503  1.0
  Zn  Zn3  4  0.1880  0.5000  0.4662  1.0
  Ga  Ga4  4  0.0193  0.5000  0.1731  1.0
  Ga  Ga5  4  0.2028  0.0000  0.7193  1.0
]