data_CeNiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.6
_cell_length_b   4.63
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeNiSn
_chemical_formula_sum   'Ce4 Ni4 Sn4'
_cell_volume   269.54
_cell_formula_units_Z   4
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  0.96  0.48  0.48  1.0
  Ce  Ce1  1  0.16  0.48  0.35  1.0
  Ce  Ce2  1  0.44  0.16  0.3  1.0
  Ce  Ce3  1  0.64  0.16  0.17  1.0
  Ni  Ni4  1  0.41  0.16  0.64  1.0
  Ni  Ni5  1  0.21  0.16  0.18  1.0
  Ni  Ni6  1  0.39  0.48  0.47  1.0
  Ni  Ni7  1  0.19  0.48  0.01  1.0
  Sn  Sn8  1  0.22  0.16  0.69  1.0
  Sn  Sn9  1  0.42  0.16  0.13  1.0
  Sn  Sn10  1  0.18  0.48  0.52  1.0
  Sn  Sn11  1  0.38  0.48  0.96  1.0

data_CeNiSn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.63
_cell_length_b   7.6
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CeNiSn
_chemical_formula_sum   'Ce4 Ni4 Sn4'
_cell_volume   269.54
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.34  0.64  0.48  1.0
  Ce  Ce1  2  0.34  0.84  0.35  1.0
  Ni  Ni2  2  0.34  0.41  0.36  1.0
  Ni  Ni3  2  0.34  0.61  0.82  1.0
  Sn  Sn4  2  0.34  0.42  0.87  1.0
  Sn  Sn5  2  0.34  0.62  0.31  1.0

Ce Ce Ce Ce Ni Ni Ni Ni Sn Sn Sn Sn