data_[Er4Zn1Sn3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.2615]
_cell_length_b [4.3842]
_cell_length_c [11.2257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Er4ZnSn3]
_chemical_formula_sum '[Er4 Zn1 Sn3]'
_cell_volume [209.7322]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.8656  1
  Er  Er1  1  0.0000  0.5000  0.3621  1
  Er  Er2  1  0.5000  0.0000  0.1324  1
  Er  Er3  1  0.5000  0.5000  0.6450  1
  Zn  Zn4  1  0.5000  0.5000  0.9166  1
  Sn  Sn5  1  0.0000  0.0000  0.5932  1
  Sn  Sn6  1  0.0000  0.5000  0.0798  1
  Sn  Sn7  1  0.5000  0.0000  0.4053  1
]