# generated using pymatgen
data_CaZrReB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58096398
_cell_length_b   9.07178011
_cell_length_c   11.46762336
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZrReB6
_chemical_formula_sum   'Ca4 Zr4 Re4 B24'
_cell_volume   372.53397653
_cell_formula_units_Z   4
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  0.32402642  0.41540971  1.0
  Ca  Ca1  1  0.00000000  0.67597358  0.58459029  1.0
  Ca  Ca2  1  0.00000000  0.82402642  0.08459029  1.0
  Ca  Ca3  1  0.00000000  0.17597358  0.91540971  1.0
  Zr  Zr4  1  0.00000000  0.94480331  0.36887822  1.0
  Zr  Zr5  1  0.00000000  0.05519669  0.63112178  1.0
  Zr  Zr6  1  0.00000000  0.44480331  0.13112178  1.0
  Zr  Zr7  1  0.00000000  0.55519669  0.86887822  1.0
  Re  Re8  1  0.00000000  0.64354727  0.31634751  1.0
  Re  Re9  1  0.00000000  0.35645273  0.68365249  1.0
  Re  Re10  1  0.00000000  0.14354727  0.18365249  1.0
  Re  Re11  1  0.00000000  0.85645273  0.81634751  1.0
  B  B12  1  0.50000000  0.55464178  0.43239386  1.0
  B  B13  1  0.50000000  0.44535822  0.56760614  1.0
  B  B14  1  0.50000000  0.05464178  0.06760614  1.0
  B  B15  1  0.50000000  0.94535822  0.93239386  1.0
  B  B16  1  0.50000000  0.75278802  0.41736873  1.0
  B  B17  1  0.50000000  0.24721198  0.58263127  1.0
  B  B18  1  0.50000000  0.25278802  0.08263127  1.0
  B  B19  1  0.50000000  0.74721198  0.91736873  1.0
  B  B20  1  0.50000000  0.79613403  0.26372790  1.0
  B  B21  1  0.50000000  0.20386597  0.73627210  1.0
  B  B22  1  0.50000000  0.29613403  0.23627210  1.0
  B  B23  1  0.50000000  0.70386597  0.76372790  1.0
  B  B24  1  0.50000000  0.63177748  0.18355832  1.0
  B  B25  1  0.50000000  0.36822252  0.81644168  1.0
  B  B26  1  0.50000000  0.13177748  0.31644168  1.0
  B  B27  1  0.50000000  0.86822252  0.68355832  1.0
  B  B28  1  0.50000000  0.98395880  0.21276960  1.0
  B  B29  1  0.50000000  0.01604120  0.78723040  1.0
  B  B30  1  0.50000000  0.48395880  0.28723040  1.0
  B  B31  1  0.50000000  0.51604120  0.71276960  1.0
  B  B32  1  0.50000000  0.59675238  0.02557855  1.0
  B  B33  1  0.50000000  0.40324762  0.97442145  1.0
  B  B34  1  0.50000000  0.09675238  0.47442145  1.0
  B  B35  1  0.50000000  0.90324762  0.52557855  1.0