# generated using pymatgen
data_Cr9FeB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38422199
_cell_length_b   5.38422199
_cell_length_c   10.03834254
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr9FeB6
_chemical_formula_sum   'Cr18 Fe2 B12'
_cell_volume   291.01000872
_cell_formula_units_Z   2
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
  Cr  Cr0  1  0.67284000  0.16933500  0.35219200  1
  Cr  Cr1  1  0.32716000  0.83066500  0.35219200  1
  Cr  Cr2  1  0.83066500  0.67284000  0.35219200  1
  Cr  Cr3  1  0.16933500  0.32716000  0.35219200  1
  Cr  Cr4  1  0.82716000  0.33066500  0.14780800  1
  Cr  Cr5  1  0.17284000  0.66933500  0.14780800  1
  Cr  Cr6  1  0.66933500  0.82716000  0.14780800  1
  Cr  Cr7  1  0.33066500  0.17284000  0.14780800  1
  Cr  Cr8  1  0.50000000  0.50000000  0.00000000  1
  Cr  Cr9  1  0.17284000  0.66933500  0.85219200  1
  Cr  Cr10  1  0.82716000  0.33066500  0.85219200  1
  Cr  Cr11  1  0.33066500  0.17284000  0.85219200  1
  Cr  Cr12  1  0.66933500  0.82716000  0.85219200  1
  Cr  Cr13  1  0.32716000  0.83066500  0.64780800  1
  Cr  Cr14  1  0.67284000  0.16933500  0.64780800  1
  Cr  Cr15  1  0.16933500  0.32716000  0.64780800  1
  Cr  Cr16  1  0.83066500  0.67284000  0.64780800  1
  Cr  Cr17  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe18  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe19  1  0.50000000  0.50000000  0.50000000  1
  B  B20  1  0.37637300  0.88434200  0.00000000  1
  B  B21  1  0.62362700  0.11565800  0.00000000  1
  B  B22  1  0.11565800  0.37637300  0.00000000  1
  B  B23  1  0.88434200  0.62362700  0.00000000  1
  B  B24  1  0.00000000  0.00000000  0.25121600  1
  B  B25  1  0.50000000  0.50000000  0.24878400  1
  B  B26  1  0.87637300  0.38434200  0.50000000  1
  B  B27  1  0.12362700  0.61565800  0.50000000  1
  B  B28  1  0.61565800  0.87637300  0.50000000  1
  B  B29  1  0.38434200  0.12362700  0.50000000  1
  B  B30  1  0.50000000  0.50000000  0.75121600  1
  B  B31  1  0.00000000  0.00000000  0.74878400  1
