data_MnGaCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   2.61
_cell_angle_alpha   103.06
_cell_angle_beta   103.06
_cell_angle_gamma   119.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGaCu2
_chemical_formula_sum   'Mn1 Ga1 Cu2'
_cell_volume   52.36
_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  Ga2  1  0.55  0.0  0.0  1.0
  Cu  Cu0  1  0.69  0.2  0.17  1.0
  Cu  Cu1  1  0.69  0.8  0.17  1.0

data_MnGaCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.61
_cell_length_b   4.56
_cell_length_c   5.09
_cell_angle_alpha   115.49
_cell_angle_beta   103.06
_cell_angle_gamma   93.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGaCu2
_chemical_formula_sum   'Mn1 Ga1 Cu2'
_cell_volume   52.36
_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  -0.0  0.0  0.55  1.0
  Cu  Cu2  1  0.37  0.2  0.89  1.0
  Cu  Cu3  1  0.96  0.8  0.48  1.0

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