# generated using pymatgen
data_Ca2AcLaB24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.19342582
_cell_length_b   7.19342570
_cell_length_c   5.89069115
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.38853592
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2AcLaB24
_chemical_formula_sum   'Ca2 Ac1 La1 B24'
_cell_volume   287.52962646
_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  0.75065371  0.24934629  0.50000000  1.0
  Ca  Ca1  1  0.24934629  0.75065371  0.50000000  1.0
  Ac  Ac2  1  0.50000000  0.50000000  0.00000000  1.0
  La  La3  1  0.00000000  0.00000000  0.00000000  1.0
  B  B4  1  0.17388900  0.32441577  0.64836230  1.0
  B  B5  1  0.92612446  0.57496417  0.15007878  1.0
  B  B6  1  0.67558423  0.82611100  0.64836230  1.0
  B  B7  1  0.42503583  0.07387554  0.15007878  1.0
  B  B8  1  0.17388900  0.32441577  0.35163770  1.0
  B  B9  1  0.92612446  0.57496417  0.84992122  1.0
  B  B10  1  0.67558423  0.82611100  0.35163770  1.0
  B  B11  1  0.42503583  0.07387554  0.84992122  1.0
  B  B12  1  0.39903115  0.39903115  0.50000000  1.0
  B  B13  1  0.14939720  0.64955112  0.00000000  1.0
  B  B14  1  0.89995437  0.89995437  0.50000000  1.0
  B  B15  1  0.64955112  0.14939720  0.00000000  1.0
  B  B16  1  0.32441577  0.17388900  0.64836230  1.0
  B  B17  1  0.07387554  0.42503583  0.15007878  1.0
  B  B18  1  0.82611100  0.67558423  0.64836230  1.0
  B  B19  1  0.57496417  0.92612446  0.15007878  1.0
  B  B20  1  0.10004563  0.10004563  0.50000000  1.0
  B  B21  1  0.85060280  0.35044888  0.00000000  1.0
  B  B22  1  0.60096885  0.60096885  0.50000000  1.0
  B  B23  1  0.35044888  0.85060280  0.00000000  1.0
  B  B24  1  0.32441577  0.17388900  0.35163770  1.0
  B  B25  1  0.07387554  0.42503583  0.84992122  1.0
  B  B26  1  0.82611100  0.67558423  0.35163770  1.0
  B  B27  1  0.57496417  0.92612446  0.84992122  1.0