data_MnGa2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   135.82
_cell_angle_beta   135.82
_cell_angle_gamma   64.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGa2Cu
_chemical_formula_sum   'Mn1 Ga2 Cu1'
_cell_volume   54.67
_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
  Ga  Ga1  1  0.0  0.0  0.11  1.0
  Ga  Ga2  1  0.0  0.82  0.05  1.0
  Cu  Cu0  1  0.82  0.0  0.05  1.0

data_MnGa2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   3.65
_cell_length_c   4.85
_cell_angle_alpha   112.09
_cell_angle_beta   112.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGa2Cu
_chemical_formula_sum   'Mn1 Ga2 Cu1'
_cell_volume   54.67
_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  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.77  0.82  0.77  1.0
  Ga  Ga2  1  0.89  0.0  0.89  1.0
  Cu  Cu3  1  0.95  0.0  0.77  1.0

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