data_[Er16Ga4Sn4]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8591]
_cell_length_b [13.4706]
_cell_length_c [6.0805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1920]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Er4GaSn]
_chemical_formula_sum '[Er16 Ga4 Sn4]'
_cell_volume [656.6126]
_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  8  0.1141  0.1807  0.0748  1.0
  Er  Er1  8  0.2062  0.4222  0.3252  1.0
  Ga  Ga2  4  0.0000  0.0002  0.7500  1.0
  Sn  Sn3  4  0.0000  0.3770  0.7500  1.0
]