# generated using pymatgen
data_Ca21MgGa14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.29243387
_cell_length_b   11.29243453
_cell_length_c   11.29243464
_cell_angle_alpha   59.99999966
_cell_angle_beta   59.99999773
_cell_angle_gamma   60.00000041
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca21MgGa14
_chemical_formula_sum   'Ca21 Mg1 Ga14'
_cell_volume   1018.23428851
_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  0.00000000  0.00000000  0.00000000  1.0
  Ca  Ca1  1  0.12989645  0.12989645  0.12989645  1.0
  Ca  Ca2  1  0.38968936  0.87010355  0.87010355  1.0
  Ca  Ca3  1  0.87010355  0.38968936  0.87010355  1.0
  Ca  Ca4  1  0.87010355  0.87010355  0.38968936  1.0
  Ca  Ca5  1  0.12989645  0.61031064  0.12989645  1.0
  Ca  Ca6  1  0.12989645  0.12989645  0.61031064  1.0
  Ca  Ca7  1  0.61031064  0.12989645  0.12989645  1.0
  Ca  Ca8  1  0.87010355  0.87010355  0.87010355  1.0
  Ca  Ca9  1  0.50000000  0.82874501  0.50000000  1.0
  Ca  Ca10  1  0.82874501  0.50000000  0.50000000  1.0
  Ca  Ca11  1  0.50000000  0.82874501  0.17125499  1.0
  Ca  Ca12  1  0.17125499  0.50000000  0.82874501  1.0
  Ca  Ca13  1  0.82874501  0.50000000  0.17125499  1.0
  Ca  Ca14  1  0.50000000  0.50000000  0.82874501  1.0
  Ca  Ca15  1  0.17125499  0.82874501  0.50000000  1.0
  Ca  Ca16  1  0.50000000  0.17125499  0.82874501  1.0
  Ca  Ca17  1  0.50000000  0.50000000  0.17125499  1.0
  Ca  Ca18  1  0.82874501  0.17125499  0.50000000  1.0
  Ca  Ca19  1  0.17125499  0.50000000  0.50000000  1.0
  Ca  Ca20  1  0.50000000  0.17125499  0.50000000  1.0
  Mg  Mg21  1  0.50000000  0.50000000  0.50000000  1.0
  Ga  Ga22  1  0.21488289  0.78511711  0.21488289  1.0
  Ga  Ga23  1  0.21488289  0.78511711  0.78511711  1.0
  Ga  Ga24  1  0.78511711  0.21488289  0.21488289  1.0
  Ga  Ga25  1  0.78511711  0.78511711  0.21488289  1.0
  Ga  Ga26  1  0.21488289  0.21488289  0.78511711  1.0
  Ga  Ga27  1  0.78511711  0.21488289  0.78511711  1.0
  Ga  Ga28  1  0.30870323  0.30870223  0.30870223  1.0
  Ga  Ga29  1  0.92610670  0.69129777  0.69129777  1.0
  Ga  Ga30  1  0.69129777  0.92610670  0.69129777  1.0
  Ga  Ga31  1  0.69129777  0.69129777  0.92610670  1.0
  Ga  Ga32  1  0.30870223  0.07389330  0.30870223  1.0
  Ga  Ga33  1  0.30870223  0.30870223  0.07389330  1.0
  Ga  Ga34  1  0.07389330  0.30870223  0.30870223  1.0
  Ga  Ga35  1  0.69129777  0.69129777  0.69129677  1.0