data_CrCu2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.74
_cell_angle_alpha   99.45
_cell_angle_beta   99.45
_cell_angle_gamma   35.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCu2Sn
_chemical_formula_sum   'Cr1 Cu2 Sn1'
_cell_volume   61.17
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.67  0.0  0.52  1.0
  Cu  Cu2  1  0.6  0.0  0.15  1.0
  Sn  Sn3  1  0.13  0.0  0.33  1.0

data_CrCu2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.74
_cell_length_c   4.77
_cell_angle_alpha   99.45
_cell_angle_beta   107.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCu2Sn
_chemical_formula_sum   'Cr1 Cu2 Sn1'
_cell_volume   61.17
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.15  0.6  1.0
  Cu  Cu2  1  0.0  0.52  0.67  1.0
  Sn  Sn3  1  0.0  0.33  0.13  1.0

Cr Cu Cu Sn
Cr Cu Cu Sn 0 3 o o o 1 2 o o o 