data_CaSn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56
_cell_length_b   5.86
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSn2Sb
_chemical_formula_sum   'Ca1 Sn2 Sb1'
_cell_volume   115.63
_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
  Sn  Sn2  1  0.47  0.93  0.4  1.0
  Sn  Sn3  1  0.01  0.93  0.15  1.0
  Sb  Sb1  1  0.74  0.0  0.77  1.0

data_CaSn2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   5.54
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSn2Sb
_chemical_formula_sum   'Ca1 Sn2 Sb1'
_cell_volume   115.63
_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
  Sn  Sn1  1  0.53  0.6  0.07  1.0
  Sn  Sn2  1  0.99  0.85  0.07  1.0
  Sb  Sb3  1  0.26  0.23  0.0  1.0

Ca Sn Sn Sb