# generated using pymatgen
data_Ca3Tl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62217922
_cell_length_b   6.62217922
_cell_length_c   10.72083802
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.97174192
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Tl5
_chemical_formula_sum   'Ca6 Tl10'
_cell_volume   458.14602445
_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
  Ca  Ca0  1  0.08224048  0.08224048  0.25000000  1.0
  Ca  Ca1  1  0.91775952  0.91775952  0.75000000  1.0
  Ca  Ca2  1  0.28527126  0.71472874  -0.00000000  1.0
  Ca  Ca3  1  0.28527126  0.71472874  0.50000000  1.0
  Ca  Ca4  1  0.71472874  0.28527126  -0.00000000  1.0
  Ca  Ca5  1  0.71472874  0.28527126  0.50000000  1.0
  Tl  Tl6  1  0.52161007  0.52161007  0.75000000  1.0
  Tl  Tl7  1  0.47838993  0.47838993  0.25000000  1.0
  Tl  Tl8  1  0.45050511  0.01854800  0.75000000  1.0
  Tl  Tl9  1  0.98145200  0.54949489  0.25000000  1.0
  Tl  Tl10  1  0.54949489  0.98145200  0.25000000  1.0
  Tl  Tl11  1  0.01854800  0.45050511  0.75000000  1.0
  Tl  Tl12  1  0.20424344  0.20424344  0.96639301  1.0
  Tl  Tl13  1  0.79575656  0.79575656  0.03360699  1.0
  Tl  Tl14  1  0.20424344  0.20424344  0.53360699  1.0
  Tl  Tl15  1  0.79575656  0.79575656  0.46639301  1.0