# generated using pymatgen
data_Ca3Yb2As3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.44792453
_cell_length_b   8.44792360
_cell_length_c   6.69201882
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999979
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Yb2As3
_chemical_formula_sum   'Ca6 Yb4 As6'
_cell_volume   413.60691358
_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  0.25465812  1.00000000  0.25000000  1.0
  Ca  Ca1  1  0.74534188  0.00000000  0.75000000  1.0
  Ca  Ca2  1  0.00000000  0.25465812  0.25000000  1.0
  Ca  Ca3  1  1.00000000  0.74534188  0.75000000  1.0
  Ca  Ca4  1  0.74534188  0.74534188  0.25000000  1.0
  Ca  Ca5  1  0.25465812  0.25465812  0.75000000  1.0
  Yb  Yb6  1  0.33333300  0.66666700  0.00000000  1.0
  Yb  Yb7  1  0.66666700  0.33333300  0.00000000  1.0
  Yb  Yb8  1  0.66666700  0.33333300  0.50000000  1.0
  Yb  Yb9  1  0.33333300  0.66666700  0.50000000  1.0
  As  As10  1  0.60939791  0.00000000  0.25000000  1.0
  As  As11  1  0.39060209  1.00000000  0.75000000  1.0
  As  As12  1  1.00000000  0.60939791  0.25000000  1.0
  As  As13  1  0.00000000  0.39060209  0.75000000  1.0
  As  As14  1  0.39060209  0.39060209  0.25000000  1.0
  As  As15  1  0.60939791  0.60939791  0.75000000  1.0