# generated using pymatgen
data_LiCaTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.87910495
_cell_length_b   12.98387592
_cell_length_c   12.98387526
_cell_angle_alpha   60.18560337
_cell_angle_beta   62.77692869
_cell_angle_gamma   62.77693062
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCaTl2
_chemical_formula_sum   'Li1 Ca1 Tl2'
_cell_volume   1474.80902478
_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  -0.00000000  -0.00000000  0.00000000  1
  Ca  Ca1  1  0.50000000  -0.00000000  0.00000000  1
  Tl  Tl2  1  0.77162325  1.00000000  1.00000000  1
  Tl  Tl3  1  0.22837675  0.00000000  0.00000000  1
