# generated using pymatgen
data_LiCa3OsO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49427559
_cell_length_b   6.49427732
_cell_length_c   6.49427869
_cell_angle_alpha   91.95634834
_cell_angle_beta   91.95631834
_cell_angle_gamma   91.95629456
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCa3OsO6
_chemical_formula_sum   'Li2 Ca6 Os2 O12'
_cell_volume   273.41014363
_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  0.25000100  0.25000100  0.25000100  1
  Li  Li1  1  0.74999900  0.74999900  0.74999900  1
  Ca  Ca2  1  0.60391100  0.24999900  0.89608900  1
  Ca  Ca3  1  0.39608900  0.75000100  0.10391100  1
  Ca  Ca4  1  0.89608900  0.60391100  0.24999900  1
  Ca  Ca5  1  0.10391100  0.39608900  0.75000100  1
  Ca  Ca6  1  0.24999900  0.89608900  0.60391100  1
  Ca  Ca7  1  0.75000100  0.10391100  0.39608900  1
  Os  Os8  1  0.00000000  0.00000000  0.00000000  1
  Os  Os9  1  0.50000000  0.50000100  0.50000000  1
  O  O10  1  0.20860600  0.55016300  0.42174400  1
  O  O11  1  0.79139400  0.44983700  0.57825600  1
  O  O12  1  0.07825100  0.94983500  0.29139000  1
  O  O13  1  0.92174800  0.05016600  0.70861000  1
  O  O14  1  0.42174400  0.20860600  0.55016400  1
  O  O15  1  0.57825600  0.79139300  0.44983700  1
  O  O16  1  0.94983400  0.29139000  0.07825100  1
  O  O17  1  0.05016600  0.70861000  0.92174900  1
  O  O18  1  0.55016400  0.42174400  0.20860600  1
  O  O19  1  0.44983700  0.57825600  0.79139400  1
  O  O20  1  0.29139100  0.07825100  0.94983400  1
  O  O21  1  0.70860900  0.92174900  0.05016600  1
