data_ZrCu7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.6
_cell_length_b   8.49
_cell_length_c   4.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu7
_chemical_formula_sum   'Zr1 Cu7'
_cell_volume   99.42
_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  Zr7  1  0.3  0.25  0.5  1.0
  Cu  Cu0  1  0.3  0.37  0.0  1.0
  Cu  Cu1  1  0.3  0.12  0.0  1.0
  Cu  Cu2  1  0.0  0.37  0.25  1.0
  Cu  Cu3  1  0.0  0.12  0.25  1.0
  Cu  Cu4  1  0.0  0.0  0.75  1.0
  Cu  Cu5  1  0.0  0.25  0.75  1.0
  Cu  Cu6  1  0.3  0.0  0.5  1.0

data_ZrCu7
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.6
_cell_length_b   4.5
_cell_length_c   8.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu7
_chemical_formula_sum   'Zr1 Cu7'
_cell_volume   99.42
_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  0.7  0.5  0.75  1.0
  Cu  Cu1  1  -0.0  0.75  0.88  1.0
  Cu  Cu2  1  -0.0  0.25  0.75  1.0
  Cu  Cu3  1  -0.0  0.75  0.63  1.0
  Cu  Cu4  1  0.0  0.25  0.0  1.0
  Cu  Cu5  1  0.7  -0.0  0.63  1.0
  Cu  Cu6  1  0.7  -0.0  0.88  1.0
  Cu  Cu7  1  0.7  0.5  0.0  1.0

Zr Cu Cu Cu Cu Cu Cu Cu