data_Cr2Cu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.05
_cell_length_b   11.05
_cell_length_c   11.05
_cell_angle_alpha   13.01
_cell_angle_beta   13.01
_cell_angle_gamma   13.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Cu3
_chemical_formula_sum   'Cr2 Cu3'
_cell_volume   59.53
_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  0.15  1.0
  Cr  Cr1  1  0.0  0.0  0.72  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Cu  Cu3  1  0.0  0.0  0.57  1.0
  Cu  Cu4  1  0.0  0.0  0.31  1.0

data_Cr2Cu3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.34
_cell_length_b   2.5
_cell_length_c   11.05
_cell_angle_alpha   90.0
_cell_angle_beta   97.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2Cu3
_chemical_formula_sum   'Cr4 Cu6'
_cell_volume   119.06
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.85  1.0
  Cr  Cr1  2  -0.0  0.0  0.28  1.0
  Cu  Cu2  2  -0.0  0.0  0.69  1.0
  Cu  Cu3  2  -0.0  0.0  0.43  1.0
  Cu  Cu4  2  0.0  0.0  0.0  1.0

Cr Cr Cu Cu Cu