# generated using pymatgen
data_Ca2Yb3Sb3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.09601809
_cell_length_b   9.09601889
_cell_length_c   7.08014770
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Yb3Sb3Br
_chemical_formula_sum   'Ca4 Yb6 Sb6 Br2'
_cell_volume   507.31256093
_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  0.66666700  0.33333300  0.50000000  1.0
  Ca  Ca1  1  0.33333300  0.66666700  0.00000000  1.0
  Ca  Ca2  1  0.33333300  0.66666700  0.50000000  1.0
  Ca  Ca3  1  0.66666700  0.33333300  0.00000000  1.0
  Yb  Yb4  1  0.26096477  1.00000000  0.25000000  1.0
  Yb  Yb5  1  1.00000000  0.73903523  0.75000000  1.0
  Yb  Yb6  1  0.73903523  0.73903523  0.25000000  1.0
  Yb  Yb7  1  0.26096477  0.26096477  0.75000000  1.0
  Yb  Yb8  1  0.73903523  0.00000000  0.75000000  1.0
  Yb  Yb9  1  0.00000000  0.26096477  0.25000000  1.0
  Sb  Sb10  1  0.60958035  0.60958035  0.75000000  1.0
  Sb  Sb11  1  1.00000000  0.60958035  0.25000000  1.0
  Sb  Sb12  1  0.60958035  0.00000000  0.25000000  1.0
  Sb  Sb13  1  0.39041965  1.00000000  0.75000000  1.0
  Sb  Sb14  1  0.00000000  0.39041965  0.75000000  1.0
  Sb  Sb15  1  0.39041965  0.39041965  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