data_[Er16Ga4Cu2]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0707]
_cell_length_b [4.9127]
_cell_length_c [6.5260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0125]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8Ga2Cu]
_chemical_formula_sum '[Er16 Ga4 Cu2]'
_cell_volume [566.6652]
_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  0.0228  0.0000  0.7753  1.0
  Er  Er1  4  0.0916  0.5000  0.4593  1.0
  Er  Er2  4  0.1543  0.5000  0.9746  1.0
  Er  Er3  4  0.2073  0.0000  0.3127  1.0
  Ga  Ga4  4  0.1891  0.0000  0.7541  1.0
  Cu  Cu5  2  0.0000  0.5000  0.0000  1.0
]