data_[Er16Ga4Re2]
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
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4555]
_cell_length_b [5.0624]
_cell_length_c [6.8437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1176]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8Ga2Re]
_chemical_formula_sum '[Er16 Ga4 Re2]'
_cell_volume [567.8585]
_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  0.0206  0.0000  0.7894  1.0
  Er  Er1  4  0.0920  0.5000  0.4374  1.0
  Er  Er2  4  0.1582  0.5000  0.9572  1.0
  Er  Er3  4  0.1988  0.0000  0.2988  1.0
  Ga  Ga4  4  0.1802  0.0000  0.7012  1.0
  Re  Re5  2  0.0000  0.5000  0.0000  1.0
]