data_[Li1Zr1Cr2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zr  1.3300  1.5500  0.8600
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.6862]
_cell_length_b [3.9317]
_cell_length_c [5.8340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5422]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LiZrCr2]
_chemical_formula_sum '[Li1 Zr1 Cr2]'
_cell_volume [60.1434]
_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  0.9223  0.0000  0.4629  1
  Zr  Zr1  1  0.5411  0.5000  0.7682  1
  Cr  Cr2  1  0.1023  0.0000  0.0490  1
  Cr  Cr3  1  0.4343  0.5000  0.2198  1
]