data_Ca2FeSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   44.06
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2FeSb
_chemical_formula_sum   'Ca2 Fe1 Sb1'
_cell_volume   106.16
_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  0.2  1.0
  Ca  Ca1  1  0.13  0.0  0.4  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.13  0.0  0.7  1.0

data_Ca2FeSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.49
_cell_length_c   5.99
_cell_angle_alpha   112.03
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2FeSb
_chemical_formula_sum   'Ca2 Fe1 Sb1'
_cell_volume   106.16
_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  0.2  0.2  1.0
  Ca  Ca1  1  0.87  0.4  0.4  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.87  0.7  0.7  1.0

Ca Ca Fe Sb