data_Mn2InCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   131.74
_cell_angle_beta   131.74
_cell_angle_gamma   70.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2InCu
_chemical_formula_sum   'Mn2 In1 Cu1'
_cell_volume   60.62
_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  0.0  0.97  0.96  1.0
  Mn  Mn3  1  0.97  0.0  0.96  1.0
  In  In1  1  0.0  0.0  0.92  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_Mn2InCu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   125.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2InCu
_chemical_formula_sum   'Mn4 In2 Cu2'
_cell_volume   121.23
_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
  Mn  Mn0  4  0.02  0.02  0.0  1.0
  In  In1  2  0.08  0.0  0.08  1.0
  Cu  Cu2  2  0.0  0.0  0.0  1.0

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