# generated using pymatgen
data_CaTlAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.38920074
_cell_length_b   12.38920074
_cell_length_c   12.38920074
_cell_angle_alpha   123.66428593
_cell_angle_beta   118.80122809
_cell_angle_gamma   87.93127626
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTlAg2
_chemical_formula_sum   'Ca1 Tl1 Ag2'
_cell_volume   1315.57117253
_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
  Ca  Ca0  1  0.00000000  0.00000000  0.00000000  1.0
  Tl  Tl1  1  0.00000000  0.50000000  0.50000000  1.0
  Ag  Ag2  1  0.00000000  0.24999600  0.24999600  1.0
  Ag  Ag3  1  0.00000000  0.75000400  0.75000400  1.0