# generated using pymatgen
data_LiCr2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79505202
_cell_length_b   5.79505202
_cell_length_c   5.08743600
_cell_angle_alpha   89.70293104
_cell_angle_beta   89.70293104
_cell_angle_gamma   60.88940944
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCr2O4
_chemical_formula_sum   'Li2 Cr4 O8'
_cell_volume   149.26546120
_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  1  0.85948100  0.14051900  0.25000000  1
  Li  Li1  1  0.14051900  0.85948100  0.75000000  1
  Cr  Cr2  1  0.38993800  0.14118500  0.75081300  1
  Cr  Cr3  1  0.61006200  0.85881500  0.24918700  1
  Cr  Cr4  1  0.85881500  0.61006200  0.74918700  1
  Cr  Cr5  1  0.14118500  0.38993800  0.25081300  1
  O  O6  1  0.73532400  0.96252100  0.57095900  1
  O  O7  1  0.50905100  0.78087300  0.90750300  1
  O  O8  1  0.26467600  0.03747900  0.42904100  1
  O  O9  1  0.78087300  0.50905100  0.40750300  1
  O  O10  1  0.96252100  0.73532400  0.07095900  1
  O  O11  1  0.49094900  0.21912700  0.09249700  1
  O  O12  1  0.21912700  0.49094900  0.59249700  1
  O  O13  1  0.03747900  0.26467600  0.92904100  1
