data_NaCr2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16
_cell_length_b   7.16
_cell_length_c   7.16
_cell_angle_alpha   157.32
_cell_angle_beta   154.97
_cell_angle_gamma   34.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCr2B
_chemical_formula_sum   'Na1 Cr2 B1'
_cell_volume   59.77
_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
  Na  Na3  1  0.41  0.0  0.83  1.0
  Cr  Cr1  1  0.41  0.0  0.54  1.0
  Cr  Cr2  1  0.0  0.0  0.99  1.0
  B  B0  1  0.0  0.0  0.17  1.0

data_NaCr2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   3.1
_cell_length_c   7.16
_cell_angle_alpha   102.52
_cell_angle_beta   101.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCr2B
_chemical_formula_sum   'Na1 Cr2 B1'
_cell_volume   59.77
_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
  Na  Na0  1  0.58  0.17  0.58  1.0
  Cr  Cr1  1  0.01  0.01  0.01  1.0
  Cr  Cr2  1  0.86  0.46  0.86  1.0
  B  B3  1  0.83  0.83  0.83  1.0

Na Cr Cr B