# generated using pymatgen
data_Ca2Yb3Bi3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.24784906
_cell_length_b   9.24784977
_cell_length_c   7.17266089
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000088
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Yb3Bi3Br
_chemical_formula_sum   'Ca4 Yb6 Bi6 Br2'
_cell_volume   531.24202719
_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  0.33333300  0.66666700  0.50000000  1.0
  Ca  Ca1  1  0.33333300  0.66666700  0.00000000  1.0
  Ca  Ca2  1  0.66666700  0.33333300  0.50000000  1.0
  Ca  Ca3  1  0.66666700  0.33333300  0.00000000  1.0
  Yb  Yb4  1  0.74119709  0.00000000  0.75000000  1.0
  Yb  Yb5  1  0.00000000  0.25880291  0.25000000  1.0
  Yb  Yb6  1  0.74119709  0.74119709  0.25000000  1.0
  Yb  Yb7  1  0.25880291  1.00000000  0.25000000  1.0
  Yb  Yb8  1  0.25880291  0.25880291  0.75000000  1.0
  Yb  Yb9  1  1.00000000  0.74119709  0.75000000  1.0
  Bi  Bi10  1  0.39042759  1.00000000  0.75000000  1.0
  Bi  Bi11  1  0.60957241  0.00000000  0.25000000  1.0
  Bi  Bi12  1  1.00000000  0.60957241  0.25000000  1.0
  Bi  Bi13  1  0.60957241  0.60957241  0.75000000  1.0
  Bi  Bi14  1  0.00000000  0.39042759  0.75000000  1.0
  Bi  Bi15  1  0.39042759  0.39042759  0.25000000  1.0
  Br  Br16  1  0.00000000  0.00000000  0.50000000  1.0
  Br  Br17  1  0.00000000  0.00000000  0.00000000  1.0