data_CaLaSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   6.32
_cell_angle_alpha   141.54
_cell_angle_beta   141.54
_cell_angle_gamma   55.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLaSb
_chemical_formula_sum   'Ca1 La1 Sb1'
_cell_volume   96.92
_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  0.24  1.0
  La  La1  1  0.0  0.0  0.54  1.0
  Sb  Sb2  1  0.0  0.0  0.41  1.0

data_CaLaSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   6.32
_cell_angle_alpha   90.0
_cell_angle_beta   117.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaLaSb
_chemical_formula_sum   'Ca2 La2 Sb2'
_cell_volume   193.83
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.24  0.0  0.24  1.0
  La  La1  2  0.04  0.5  0.54  1.0
  Sb  Sb2  2  0.41  0.0  0.41  1.0

Ca La Sb
Ca La Sb 0 2 o o o 1 2 o o o 