data_[Li2Hf1Zr1Mn2Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  Mn  1.5500  1.4000  0.6483
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.5420]
_cell_length_b [4.5420]
_cell_length_c [6.4222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Li2HfZr(MnSn)2]
_chemical_formula_sum '[Li2 Hf1 Zr1 Mn2 Sn2]'
_cell_volume [132.4893]
_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  2  0.0000  0.5000  0.2497  1
  Hf  Hf1  1  0.0000  0.0000  0.0000  1
  Zr  Zr2  1  0.5000  0.5000  0.5000  1
  Mn  Mn3  2  0.0000  0.5000  0.7526  1
  Sn  Sn4  1  0.0000  0.0000  0.5000  1
  Sn  Sn5  1  0.5000  0.5000  0.0000  1
]