# generated using pymatgen
data_LiSm2Cr2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18515069
_cell_length_b   6.18515168
_cell_length_c   6.11409692
_cell_angle_alpha   105.75002048
_cell_angle_beta   105.75002679
_cell_angle_gamma   117.18499774
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSm2Cr2O8
_chemical_formula_sum   'Li1 Sm2 Cr2 O8'
_cell_volume   177.60968112
_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  0.10547600  0.89452400  0.75000000  1
  Sm  Sm1  1  0.38971100  0.61028900  0.75000000  1
  Sm  Sm2  1  0.62271300  0.37728900  0.25000100  1
  Cr  Cr3  1  0.86263300  0.13736900  0.75000000  1
  Cr  Cr4  1  0.12647700  0.87352300  0.25000000  1
  O  O5  1  0.31492000  0.23859400  0.42984800  1
  O  O6  1  0.86691500  0.29397800  0.56174700  1
  O  O7  1  0.21407300  0.27757200  0.91621100  1
  O  O8  1  0.28807600  0.86626600  0.04249700  1
  O  O9  1  0.13373500  0.71192400  0.45750200  1
  O  O10  1  0.72242800  0.78592800  0.58379000  1
  O  O11  1  0.76140600  0.68508000  0.07015100  1
  O  O12  1  0.70602200  0.13308500  0.93825400  1
