# generated using pymatgen
data_Ca2YbC3Br2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17488435
_cell_length_b   7.17488448
_cell_length_c   11.70972854
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   148.65487957
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2YbC3Br2
_chemical_formula_sum   'Ca4 Yb2 C6 Br4'
_cell_volume   313.57409545
_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  0.66098604  0.33901396  0.56042608  1.0
  Ca  Ca1  1  0.33901396  0.66098604  0.43957392  1.0
  Ca  Ca2  1  0.33901396  0.66098604  0.06042608  1.0
  Ca  Ca3  1  0.66098604  0.33901396  0.93957392  1.0
  Yb  Yb4  1  0.12703315  0.87296685  0.25000000  1.0
  Yb  Yb5  1  0.87296685  0.12703315  0.75000000  1.0
  C  C6  1  0.26869839  0.73130161  0.63705233  1.0
  C  C7  1  0.73130161  0.26869839  0.36294767  1.0
  C  C8  1  0.73130161  0.26869839  0.13705233  1.0
  C  C9  1  0.26869839  0.73130161  0.86294767  1.0
  C  C10  1  0.74110414  0.25889586  0.25000000  1.0
  C  C11  1  0.25889586  0.74110414  0.75000000  1.0
  Br  Br12  1  0.52800777  0.47199223  0.75000000  1.0
  Br  Br13  1  0.47199223  0.52800777  0.25000000  1.0
  Br  Br14  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br15  1  0.00000000  0.00000000  0.50000000  1.0