data_[Li1Pr2Cu3Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.4666]
_cell_length_b [4.4666]
_cell_length_c [10.8782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [LiPr2Cu3Sn4]
_chemical_formula_sum '[Li1 Pr2 Cu3 Sn4]'
_cell_volume [217.0235]
_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
[
  Li  Li0  1  0.5000  0.5000  0.5000  1.0
  Pr  Pr1  2  0.0000  0.5000  0.7456  1.0
  Cu  Cu2  2  0.0000  0.5000  0.1358  1.0
  Cu  Cu3  1  0.0000  0.0000  0.5000  1.0
  Sn  Sn4  2  0.0000  0.5000  0.3697  1.0
  Sn  Sn5  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn6  1  0.5000  0.5000  0.0000  1.0
]