data_Mn2GaCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   4.08
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   100.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2GaCu
_chemical_formula_sum   'Mn2 Ga1 Cu1'
_cell_volume   54.43
_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  0.91  0.0  0.64  1.0
  Mn  Mn3  1  0.81  0.04  0.41  1.0
  Ga  Ga1  1  0.45  0.04  0.75  1.0
  Cu  Cu0  1  0.54  0.0  0.27  1.0

data_Mn2GaCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.08
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   100.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2GaCu
_chemical_formula_sum   'Mn2 Ga1 Cu1'
_cell_volume   54.43
_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  0.81  0.04  0.41  1.0
  Mn  Mn1  1  0.91  0.0  0.64  1.0
  Ga  Ga2  1  0.45  0.04  0.75  1.0
  Cu  Cu3  1  0.54  0.0  0.27  1.0

Mn Mn Ga Cu