data_MnGa2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   143.76
_cell_angle_beta   142.5
_cell_angle_gamma   53.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGa2Se
_chemical_formula_sum   'Mn1 Ga2 Se1'
_cell_volume   75.63
_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  Mn2  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.92  0.95  1.0
  Ga  Ga1  1  0.85  0.0  0.38  1.0
  Se  Se3  1  0.0  0.0  0.33  1.0

data_MnGa2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   3.83
_cell_length_c   5.96
_cell_angle_alpha   108.75
_cell_angle_beta   108.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGa2Se
_chemical_formula_sum   'Mn1 Ga2 Se1'
_cell_volume   75.63
_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  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.38  0.52  1.0
  Ga  Ga2  1  0.08  0.04  0.04  1.0
  Se  Se3  1  0.0  0.33  0.33  1.0

Mn Ga Ga Se