data_CrCoCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   145.55
_cell_angle_beta   132.13
_cell_angle_gamma   60.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCoCu2
_chemical_formula_sum   'Cr1 Co1 Cu2'
_cell_volume   47.4
_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  Cr1  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.19  1.0
  Cu  Cu2  1  0.0  0.97  0.07  1.0
  Cu  Cu3  1  0.44  0.0  0.12  1.0

data_CrCoCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   3.93
_cell_length_c   4.85
_cell_angle_alpha   113.93
_cell_angle_beta   107.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCoCu2
_chemical_formula_sum   'Cr1 Co1 Cu2'
_cell_volume   47.4
_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
  Co  Co1  1  0.81  0.81  0.81  1.0
  Cu  Cu2  1  0.31  0.88  0.31  1.0
  Cu  Cu3  1  0.93  0.9  0.9  1.0

Cr Co Cu Cu
Cr Co Cu Cu 0 2 o - o 0 3 o o o 1 2 o - o 2 3 o + o 