data_InFeCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   150.09
_cell_angle_beta   150.09
_cell_angle_gamma   42.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InFeCu
_chemical_formula_sum   'In1 Fe1 Cu1'
_cell_volume   45.87
_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
  In  In2  1  0.0  0.0  0.06  1.0
  Fe  Fe1  1  0.0  0.0  0.69  1.0
  Cu  Cu0  1  0.0  0.0  0.47  1.0

data_InFeCu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   5.7
_cell_angle_alpha   90.0
_cell_angle_beta   111.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InFeCu
_chemical_formula_sum   'In2 Fe2 Cu2'
_cell_volume   91.73
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  In  In0  2  0.06  0.0  0.06  1.0
  Fe  Fe1  2  0.19  0.5  0.69  1.0
  Cu  Cu2  2  0.47  0.0  0.47  1.0

In Fe Cu
In Fe Cu 0 1 o o - 0 2 o o o 1 2 o o o 