data_ZrIn2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.3
_cell_angle_alpha   111.2
_cell_angle_beta   111.2
_cell_angle_gamma   32.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrIn2Cu
_chemical_formula_sum   'Zr1 In2 Cu1'
_cell_volume   81.14
_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  0.34  0.0  0.45  1.0
  In  In1  1  0.38  0.0  0.76  1.0
  In  In2  1  0.3  0.0  0.15  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_ZrIn2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   5.3
_cell_length_c   5.55
_cell_angle_alpha   111.2
_cell_angle_beta   106.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrIn2Cu
_chemical_formula_sum   'Zr1 In2 Cu1'
_cell_volume   81.14
_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  0.0  0.45  0.34  1.0
  In  In1  1  0.0  0.15  0.3  1.0
  In  In2  1  0.0  0.76  0.38  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

Zr In In Cu