data_MgGaSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.09
_cell_length_c   3.51
_cell_angle_alpha   74.7
_cell_angle_beta   71.99
_cell_angle_gamma   33.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGaSe
_chemical_formula_sum   'Mg1 Ga1 Se1'
_cell_volume   68.98
_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
  Mg  Mg1  1  0.38  0.59  0.34  1.0
  Ga  Ga0  1  0.38  0.59  0.07  1.0
  Se  Se2  1  0.38  0.59  0.01  1.0

data_MgGaSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.75
_cell_length_b   11.21
_cell_length_c   3.51
_cell_angle_alpha   90.0
_cell_angle_beta   132.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgGaSe
_chemical_formula_sum   'Mg2 Ga2 Se2'
_cell_volume   137.95
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Mg  Mg0  2  0.34  0.0  0.72  1.0
  Ga  Ga1  2  0.07  0.0  0.44  1.0
  Se  Se2  2  0.01  0.0  0.38  1.0

Mg Ga Se