data_Cr3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   4.7
_cell_angle_alpha   93.93
_cell_angle_beta   93.93
_cell_angle_gamma   31.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3Cu
_chemical_formula_sum   'Cr3 Cu1'
_cell_volume   47.0
_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  0.33  0.0  0.19  1.0
  Cr  Cr1  1  0.82  0.0  0.5  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Cu  Cu3  1  0.07  0.0  0.35  1.0

data_Cr3Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.36
_cell_length_b   4.4
_cell_length_c   4.7
_cell_angle_alpha   93.93
_cell_angle_beta   90.0
_cell_angle_gamma   105.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3Cu
_chemical_formula_sum   'Cr3 Cu1'
_cell_volume   47.0
_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
  Cr  Cr1  1  0.0  0.18  0.5  1.0
  Cr  Cr2  1  0.0  0.67  0.81  1.0
  Cu  Cu3  1  0.0  0.93  0.65  1.0

Cr Cr Cr Cu