# generated using pymatgen
data_Ca3Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.37583855
_cell_length_b   7.37584117
_cell_length_c   5.56869796
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001027
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Tl
_chemical_formula_sum   'Ca6 Tl2'
_cell_volume   262.36579060
_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  0.17632886  0.35265571  0.25000000  1.0
  Ca  Ca1  1  0.64734529  0.82367114  0.25000000  1.0
  Ca  Ca2  1  0.17632786  0.82367114  0.25000000  1.0
  Ca  Ca3  1  0.82367114  0.64734429  0.74999900  1.0
  Ca  Ca4  1  0.35265471  0.17632886  0.74999900  1.0
  Ca  Ca5  1  0.82367214  0.17632786  0.74999900  1.0
  Tl  Tl6  1  0.33333300  0.66666700  0.74999900  1.0
  Tl  Tl7  1  0.66666700  0.33333300  0.25000000  1.0