data_Na2CaSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71
_cell_length_b   4.6
_cell_length_c   7.49
_cell_angle_alpha   90.0
_cell_angle_beta   94.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CaSb
_chemical_formula_sum   'Na2 Ca1 Sb1'
_cell_volume   127.42
_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  0.07  0.3  0.13  1.0
  Na  Na2  1  0.84  0.0  0.94  1.0
  Ca  Ca0  1  0.37  0.0  0.22  1.0
  Sb  Sb3  1  0.25  0.3  0.91  1.0

data_Na2CaSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   4.6
_cell_length_c   7.49
_cell_angle_alpha   90.0
_cell_angle_beta   94.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CaSb
_chemical_formula_sum   'Na2 Ca1 Sb1'
_cell_volume   127.42
_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  Na0  1  0.07  0.3  0.13  1.0
  Na  Na1  1  0.84  0.0  0.94  1.0
  Ca  Ca2  1  0.37  0.0  0.22  1.0
  Sb  Sb3  1  0.25  0.3  0.91  1.0

Na Na Ca Sb