# generated using pymatgen
data_Ca21MgGa13Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.31678538
_cell_length_b   11.28360337
_cell_length_c   11.31678613
_cell_angle_alpha   60.09695005
_cell_angle_beta   59.80610055
_cell_angle_gamma   60.09695239
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca21MgGa13Sb
_chemical_formula_sum   'Ca21 Mg1 Ga13 Sb1'
_cell_volume   1021.81333352
_cell_formula_units_Z   1
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  0.99884238  0.00115762  0.99884238  1.0
  Ca  Ca1  1  0.12723921  0.13549047  0.12723921  1.0
  Ca  Ca2  1  0.38996888  0.87276079  0.86450953  1.0
  Ca  Ca3  1  0.87093842  0.38967939  0.87093842  1.0
  Ca  Ca4  1  0.86450953  0.87276079  0.38996888  1.0
  Ca  Ca5  1  0.12723921  0.61003112  0.12723921  1.0
  Ca  Ca6  1  0.13155724  0.12906158  0.61032061  1.0
  Ca  Ca7  1  0.61032061  0.12906158  0.13155724  1.0
  Ca  Ca8  1  0.87093842  0.86844276  0.87093842  1.0
  Ca  Ca9  1  0.49984939  0.82844620  0.49984939  1.0
  Ca  Ca10  1  0.82942786  0.50065250  0.49934750  1.0
  Ca  Ca11  1  0.50586940  0.82777390  0.17222610  1.0
  Ca  Ca12  1  0.17155380  0.50015061  0.82814497  1.0
  Ca  Ca13  1  0.82814497  0.50015061  0.17155380  1.0
  Ca  Ca14  1  0.49934750  0.50065250  0.82942786  1.0
  Ca  Ca15  1  0.17222610  0.82777390  0.50586940  1.0
  Ca  Ca16  1  0.49934750  0.17057214  0.82942786  1.0
  Ca  Ca17  1  0.50586940  0.49413060  0.17222610  1.0
  Ca  Ca18  1  0.82942786  0.17057214  0.49934750  1.0
  Ca  Ca19  1  0.17222610  0.49413060  0.50586940  1.0
  Ca  Ca20  1  0.49984939  0.17185503  0.49984939  1.0
  Mg  Mg21  1  0.50094326  0.49905674  0.50094326  1.0
  Ga  Ga22  1  0.21511165  0.78488835  0.78475758  1.0
  Ga  Ga23  1  0.78475758  0.21524242  0.21511165  1.0
  Ga  Ga24  1  0.78475758  0.78488835  0.21511165  1.0
  Ga  Ga25  1  0.21511165  0.21524242  0.78475758  1.0
  Ga  Ga26  1  0.78232250  0.21767750  0.78232250  1.0
  Ga  Ga27  1  0.30776195  0.31012166  0.30776095  1.0
  Ga  Ga28  1  0.92564455  0.69223905  0.68987834  1.0
  Ga  Ga29  1  0.69156883  0.92677704  0.69156883  1.0
  Ga  Ga30  1  0.68987834  0.69223905  0.92564455  1.0
  Ga  Ga31  1  0.30776095  0.07435545  0.30776095  1.0
  Ga  Ga32  1  0.30991471  0.30843117  0.07322296  1.0
  Ga  Ga33  1  0.07322296  0.30843117  0.30991471  1.0
  Ga  Ga34  1  0.69156883  0.69008529  0.69156783  1.0
  Sb  Sb35  1  0.21498450  0.78501550  0.21498450  1.0