data_CaNbSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   3.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNbSb2
_chemical_formula_sum   'Ca1 Nb1 Sb2'
_cell_volume   94.41
_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  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.29  0.0  0.0  1.0
  Sb  Sb2  1  0.64  0.06  0.85  1.0
  Sb  Sb3  1  0.64  0.94  0.85  1.0

data_CaNbSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   99.32
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNbSb2
_chemical_formula_sum   'Ca1 Nb1 Sb2'
_cell_volume   94.41
_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  0.0  0.0  0.0  1.0
  Nb  Nb1  1  -0.0  0.29  0.0  1.0
  Sb  Sb2  1  0.85  0.64  0.06  1.0
  Sb  Sb3  1  0.85  0.64  0.94  1.0

Ca Nb Sb Sb