data_Mn2InCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   4.32
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   100.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2InCu
_chemical_formula_sum   'Mn2 In1 Cu1'
_cell_volume   64.15
_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
  Mn  Mn2  1  0.01  0.0  0.09  1.0
  Mn  Mn3  1  0.73  0.16  0.36  1.0
  In  In1  1  0.18  0.16  0.89  1.0
  Cu  Cu0  1  0.9  0.0  0.45  1.0

data_Mn2InCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.32
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   100.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2InCu
_chemical_formula_sum   'Mn2 In1 Cu1'
_cell_volume   64.15
_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
  Mn  Mn0  1  0.01  0.0  0.09  1.0
  Mn  Mn1  1  0.73  0.16  0.36  1.0
  In  In2  1  0.18  0.16  0.89  1.0
  Cu  Cu3  1  0.9  0.0  0.45  1.0

Mn Mn In Cu
Mn Mn In Cu 0 2 o o - 1 3 o o o 