data_CaVSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   6.25
_cell_length_c   6.25
_cell_angle_alpha   33.52
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaVSb2
_chemical_formula_sum   'Ca1 V1 Sb2'
_cell_volume   111.76
_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  0.28  1.0
  V  V3  1  0.59  0.0  0.02  1.0
  Sb  Sb1  1  0.59  0.0  0.97  1.0
  Sb  Sb2  1  0.0  0.0  0.57  1.0

data_CaVSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   5.18
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   106.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaVSb2
_chemical_formula_sum   'Ca1 V1 Sb2'
_cell_volume   111.76
_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  0.72  0.0  0.72  1.0
  V  V1  1  0.98  0.59  0.98  1.0
  Sb  Sb2  1  0.03  0.59  0.03  1.0
  Sb  Sb3  1  0.43  0.0  0.43  1.0

Ca V Sb Sb