data_[Li4Pr2Cu4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0062]
_cell_length_b [4.1602]
_cell_length_c [5.0842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1230]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2PrCu2]
_chemical_formula_sum '[Li4 Pr2 Cu4]'
_cell_volume [198.7236]
_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
[
  Li  Li0  4  0.1543  0.5000  0.5662  1.0
  Pr  Pr1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.2287  0.5000  0.1139  1.0
]