data_MnInCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   128.63
_cell_angle_beta   128.63
_cell_angle_gamma   75.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnInCu2
_chemical_formula_sum   'Mn1 In1 Cu2'
_cell_volume   59.5
_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  Mn3  1  0.0  0.0  0.0  1.0
  In  In2  1  0.0  0.01  0.83  1.0
  Cu  Cu0  1  0.01  0.0  0.83  1.0
  Cu  Cu1  1  0.0  0.0  0.67  1.0

data_MnInCu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   4.64
_cell_angle_alpha   90.0
_cell_angle_beta   127.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnInCu2
_chemical_formula_sum   'Mn2 In2 Cu4'
_cell_volume   119.01
_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  2  0.0  0.0  0.0  1.0
  In  In1  2  0.17  0.0  0.18  1.0
  Cu  Cu2  2  0.17  0.0  0.18  1.0
  Cu  Cu3  2  0.33  0.0  0.33  1.0

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