data_MnBeGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   4.55
_cell_angle_alpha   101.47
_cell_angle_beta   101.47
_cell_angle_gamma   36.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBeGa2
_chemical_formula_sum   'Mn1 Be1 Ga2'
_cell_volume   52.63
_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  0.75  0.0  0.23  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.08  0.0  0.11  1.0
  Ga  Ga2  1  0.42  0.0  0.34  1.0

data_MnBeGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.45
_cell_length_c   4.55
_cell_angle_alpha   101.47
_cell_angle_beta   90.0
_cell_angle_gamma   108.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBeGa2
_chemical_formula_sum   'Mn1 Be1 Ga2'
_cell_volume   52.63
_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  0.25  0.77  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.0  0.58  0.66  1.0
  Ga  Ga3  1  0.0  0.92  0.89  1.0

Mn Be Ga Ga
Mn Be Ga Ga 0 3 o o o 0 2 + o o 0 1 + o o 1 2 o o o 2 3 o o o 