data_[Lu2Fe4Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Fe  1.8300  1.4000  0.8525
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.0728]
_cell_length_b [4.0188]
_cell_length_c [7.1066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [LuFe2Sn]
_chemical_formula_sum '[Lu2 Fe4 Sn2]'
_cell_volume [144.8792]
_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
[
  Lu  Lu0  2  0.2500  0.0000  0.2882  1.0
  Fe  Fe1  2  0.0000  0.5000  0.0000  1.0
  Fe  Fe2  2  0.2500  0.0000  0.9095  1.0
  Sn  Sn3  2  0.2500  0.5000  0.6546  1.0
]