data_[Er4Ga4Sn12]
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 [Pbcm]
_cell_length_a [12.3571]
_cell_length_b [6.3101]
_cell_length_c [6.3634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [ErGaSn3]
_chemical_formula_sum '[Er4 Ga4 Sn12]'
_cell_volume [496.1856]
_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  0.3048  0.0170  0.7500  1.0
  Ga  Ga1  4  0.1218  0.2500  0.0000  1.0
  Sn  Sn2  4  0.0659  0.6509  0.2500  1.0
  Sn  Sn3  4  0.2684  0.5256  0.7500  1.0
  Sn  Sn4  4  0.4993  0.7500  0.0000  1.0
]