# generated using pymatgen
data_CaYb2As3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.77711574
_cell_length_b   7.77366358
_cell_length_c   5.91192990
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.01468719
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaYb2As3
_chemical_formula_sum   'Ca2 Yb4 As6'
_cell_volume   309.48522321
_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  0.35194157  0.35171168  0.50000000  1.0
  Ca  Ca1  1  0.00022989  0.64828832  0.50000000  1.0
  Yb  Yb2  1  0.31335998  1.00000000  0.00000000  1.0
  Yb  Yb3  1  0.68588256  0.68485776  0.00000000  1.0
  Yb  Yb4  1  0.00102380  0.31514224  0.00000000  1.0
  Yb  Yb5  1  0.64811368  1.00000000  0.50000000  1.0
  As  As6  1  0.99738285  1.00000000  0.28906805  1.0
  As  As7  1  0.99738285  1.00000000  0.71093195  1.0
  As  As8  1  0.33544627  0.66855213  0.21392922  1.0
  As  As9  1  0.33544627  0.66855213  0.78607078  1.0
  As  As10  1  0.66689514  0.33144787  0.78607078  1.0
  As  As11  1  0.66689514  0.33144787  0.21392922  1.0