data_CeCuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   8.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeCuSn
_chemical_formula_sum   'Ce2 Cu2 Sn2'
_cell_volume   147.28
_cell_formula_units_Z   2
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
  Ce  Ce0  1  0.0  0.0  0.0  1.0
  Ce  Ce1  1  0.0  0.0  0.04  1.0
  Cu  Cu2  1  0.0  0.65  0.02  1.0
  Cu  Cu3  1  0.29  0.32  0.06  1.0
  Sn  Sn4  1  0.29  0.32  0.02  1.0
  Sn  Sn5  1  0.0  0.65  0.06  1.0

data_CeCuSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   8.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeCuSn
_chemical_formula_sum   'Ce2 Cu2 Sn2'
_cell_volume   147.28
_cell_formula_units_Z   2
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
  Ce  Ce0  1  0.0  0.0  0.0  1.0
  Ce  Ce1  1  0.0  0.0  0.04  1.0
  Cu  Cu2  1  -0.0  0.65  0.02  1.0
  Cu  Cu3  1  0.29  0.32  0.06  1.0
  Sn  Sn4  1  -0.0  0.65  0.06  1.0
  Sn  Sn5  1  0.29  0.32  0.02  1.0

Ce Ce Cu Cu Sn Sn
Ce Ce Cu Cu Sn Sn 0 1 o o o 2 5 o o o 3 4 o o o 