data_ZrCrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   146.38
_cell_angle_beta   140.27
_cell_angle_gamma   53.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCrCu
_chemical_formula_sum   'Zr1 Cr1 Cu1'
_cell_volume   47.09
_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
  Zr  Zr2  1  0.0  0.0  0.09  1.0
  Cr  Cr0  1  0.0  0.0  0.12  1.0
  Cu  Cu1  1  0.0  0.0  0.95  1.0

data_ZrCrCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   3.48
_cell_length_c   5.12
_cell_angle_alpha   109.87
_cell_angle_beta   106.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCrCu
_chemical_formula_sum   'Zr1 Cr1 Cu1'
_cell_volume   47.09
_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
  Zr  Zr0  1  0.91  0.91  0.91  1.0
  Cr  Cr1  1  0.88  0.88  0.88  1.0
  Cu  Cu2  1  0.05  0.05  0.05  1.0

Zr Cr Cu
Zr Cr Cu 0 1 o o o 0 2 o o - 