data_[Er16Ga4Si2]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5967]
_cell_length_b [4.8749]
_cell_length_c [6.5251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7202]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8Ga2Si]
_chemical_formula_sum '[Er16 Ga4 Si2]'
_cell_volume [577.0309]
_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
[
  Er  Er0  4  0.0274  0.0000  0.7756  1.0
  Er  Er1  4  0.0902  0.5000  0.4536  1.0
  Er  Er2  4  0.1551  0.5000  0.9807  1.0
  Er  Er3  4  0.2135  0.0000  0.3177  1.0
  Ga  Ga4  4  0.1868  0.0000  0.7574  1.0
  Si  Si5  2  0.0000  0.5000  0.0000  1.0
]