data_MgIn2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   5.48
_cell_angle_alpha   101.16
_cell_angle_beta   101.16
_cell_angle_gamma   38.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn2Cu
_chemical_formula_sum   'Mg1 In2 Cu1'
_cell_volume   83.71
_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
  Mg  Mg3  1  0.24  0.0  0.82  1.0
  In  In1  1  0.19  0.0  0.19  1.0
  In  In2  1  0.78  0.0  0.47  1.0
  Cu  Cu0  1  0.5  0.0  0.92  1.0

data_MgIn2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.99
_cell_length_c   5.48
_cell_angle_alpha   101.16
_cell_angle_beta   90.0
_cell_angle_gamma   109.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn2Cu
_chemical_formula_sum   'Mg1 In2 Cu1'
_cell_volume   83.71
_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
  Mg  Mg0  1  0.0  0.76  0.18  1.0
  In  In1  1  0.0  0.22  0.53  1.0
  In  In2  1  0.0  0.81  0.81  1.0
  Cu  Cu3  1  0.0  0.5  0.08  1.0

Mg In In Cu