data_NaCrSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.0
_cell_length_b   9.0
_cell_length_c   9.0
_cell_angle_alpha   22.93
_cell_angle_beta   22.93
_cell_angle_gamma   22.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCrSb2
_chemical_formula_sum   'Na1 Cr1 Sb2'
_cell_volume   97.22
_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  Na1  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.0  0.14  1.0
  Sb  Sb2  1  0.0  0.0  0.07  1.0
  Sb  Sb3  1  0.0  0.0  0.22  1.0

data_NaCrSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.2
_cell_length_b   3.58
_cell_length_c   9.0
_cell_angle_alpha   90.0
_cell_angle_beta   103.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaCrSb2
_chemical_formula_sum   'Na2 Cr2 Sb4'
_cell_volume   194.43
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Cr  Cr1  2  0.0  0.0  0.86  1.0
  Sb  Sb2  2  0.0  0.0  0.78  1.0
  Sb  Sb3  2  0.0  0.0  0.93  1.0

Na Cr Sb Sb
Na Cr Sb Sb 0 2 o o o 1 2 o o o 1 3 o o o 