data_BaCu2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.5
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   104.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCu2Sb
_chemical_formula_sum   'Ba1 Cu2 Sb1'
_cell_volume   105.64
_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
  Ba  Ba0  1  0.38  0.25  0.2  1.0
  Cu  Cu1  1  0.03  0.0  0.16  1.0
  Cu  Cu2  1  0.09  0.25  0.86  1.0
  Sb  Sb3  1  0.38  0.0  0.17  1.0

data_BaCu2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.5
_cell_length_b   4.74
_cell_length_c   5.12
_cell_angle_alpha   104.62
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCu2Sb
_chemical_formula_sum   'Ba1 Cu2 Sb1'
_cell_volume   105.64
_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
  Ba  Ba0  1  0.75  0.62  0.8  1.0
  Cu  Cu1  1  0.0  0.97  0.84  1.0
  Cu  Cu2  1  0.75  0.91  0.14  1.0
  Sb  Sb3  1  0.0  0.62  0.83  1.0

Ba Cu Cu Sb