data_[Li6Pr4Sb4]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1165]
_cell_length_b [4.7250]
_cell_length_c [6.7769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9876]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3(PrSb)2]
_chemical_formula_sum '[Li6 Pr4 Sb4]'
_cell_volume [340.4273]
_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  0.1126  0.5000  0.4294  1
  Li  Li1  2  0.0000  0.5000  0.0000  1
  Pr  Pr2  4  0.1465  0.0000  0.7603  1
  Sb  Sb3  4  0.1509  0.0000  0.2441  1
]