data_[Er2Ni4Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.4476]
_cell_length_b [4.3189]
_cell_length_c [10.1475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9073]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Er(NiSn)2]
_chemical_formula_sum '[Er2 Ni4 Sn4]'
_cell_volume [194.6682]
_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  2  0.2741  0.7500  0.7644  1.0
  Ni  Ni1  2  0.2346  0.7500  0.3671  1.0
  Ni  Ni2  2  0.3166  0.2500  0.9986  1.0
  Sn  Sn3  2  0.2019  0.7500  0.1229  1.0
  Sn  Sn4  2  0.2508  0.2500  0.5036  1.0
]