data_Ca2SbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   122.35
_cell_angle_beta   118.92
_cell_angle_gamma   88.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2SbAu
_chemical_formula_sum   'Ca2 Sb1 Au1'
_cell_volume   105.44
_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  Ca1  1  0.57  0.0  0.92  1.0
  Ca  Ca2  1  0.0  0.7  0.88  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.8  1.0

data_Ca2SbAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.13
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   61.08
_cell_angle_beta   61.18
_cell_angle_gamma   61.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2SbAu
_chemical_formula_sum   'Ca2 Sb1 Au1'
_cell_volume   105.44
_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  0.43  0.92  1.0
  Ca  Ca1  1  0.7  -0.0  0.18  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.0  0.8  1.0

Ca Ca Sb Au