data_ZrGaCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   4.15
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   102.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGaCu2
_chemical_formula_sum   'Zr1 Ga1 Cu2'
_cell_volume   63.27
_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  Zr3  1  0.85  0.08  0.08  1.0
  Ga  Ga2  1  0.15  0.0  0.57  1.0
  Cu  Cu0  1  0.58  0.0  0.19  1.0
  Cu  Cu1  1  0.66  0.08  0.33  1.0

data_ZrGaCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.15
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   102.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGaCu2
_chemical_formula_sum   'Zr1 Ga1 Cu2'
_cell_volume   63.27
_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  0.85  0.08  0.08  1.0
  Ga  Ga1  1  0.15  0.0  0.57  1.0
  Cu  Cu2  1  0.58  0.0  0.19  1.0
  Cu  Cu3  1  0.66  0.08  0.33  1.0

Zr Ga Cu Cu