# generated using pymatgen
data_Ca3LaB24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17307473
_cell_length_b   7.17307494
_cell_length_c   5.85364948
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.49658633
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3LaB24
_chemical_formula_sum   'Ca3 La1 B24'
_cell_volume   283.91814576
_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  0.74834852  0.25165148  0.50000000  1.0
  Ca  Ca1  1  0.50000000  0.50000000  0.00000000  1.0
  Ca  Ca2  1  0.25165148  0.74834852  0.50000000  1.0
  La  La3  1  0.00000000  0.00000000  0.00000000  1.0
  B  B4  1  0.17568207  0.32522082  0.64922403  1.0
  B  B5  1  0.92514496  0.57427390  0.14966639  1.0
  B  B6  1  0.67477918  0.82431793  0.64922403  1.0
  B  B7  1  0.42572610  0.07485504  0.14966639  1.0
  B  B8  1  0.17568207  0.32522082  0.35077597  1.0
  B  B9  1  0.92514496  0.57427390  0.85033361  1.0
  B  B10  1  0.67477918  0.82431793  0.35077597  1.0
  B  B11  1  0.42572610  0.07485504  0.85033361  1.0
  B  B12  1  0.39961279  0.39961279  0.50000000  1.0
  B  B13  1  0.14955916  0.64916406  0.00000000  1.0
  B  B14  1  0.89912204  0.89912204  0.50000000  1.0
  B  B15  1  0.64916406  0.14955916  0.00000000  1.0
  B  B16  1  0.32522082  0.17568207  0.64922403  1.0
  B  B17  1  0.07485504  0.42572610  0.14966639  1.0
  B  B18  1  0.82431793  0.67477918  0.64922403  1.0
  B  B19  1  0.57427390  0.92514496  0.14966639  1.0
  B  B20  1  0.10087796  0.10087796  0.50000000  1.0
  B  B21  1  0.85044084  0.35083594  0.00000000  1.0
  B  B22  1  0.60038721  0.60038721  0.50000000  1.0
  B  B23  1  0.35083594  0.85044084  0.00000000  1.0
  B  B24  1  0.32522082  0.17568207  0.35077597  1.0
  B  B25  1  0.07485504  0.42572610  0.85033361  1.0
  B  B26  1  0.82431793  0.67477918  0.35077597  1.0
  B  B27  1  0.57427390  0.92514496  0.85033361  1.0