data_UCrCuSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   140.84
_cell_angle_beta   140.84
_cell_angle_gamma   56.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UCrCuSi2
_chemical_formula_sum   'U1 Cr1 Cu1 Si2'
_cell_volume   80.47
_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
  U  U0  1  0.0  0.97  0.59  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.0  0.0  0.18  1.0
  Si  Si3  1  0.97  0.0  0.78  1.0
  Si  Si4  1  0.97  0.0  0.4  1.0

data_UCrCuSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   5.88
_cell_angle_alpha   109.58
_cell_angle_beta   109.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UCrCuSi2
_chemical_formula_sum   'U1 Cr1 Cu1 Si2'
_cell_volume   80.47
_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
  U  U0  1  0.62  0.59  0.62  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.18  0.18  0.18  1.0
  Si  Si3  1  0.4  0.43  0.43  1.0
  Si  Si4  1  0.78  0.81  0.81  1.0

U Cr Cu Si Si