data_Cr2GaSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   3.0
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   92.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2GaSe
_chemical_formula_sum   'Cr2 Ga1 Se1'
_cell_volume   55.85
_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
  Cr  Cr0  1  0.35  0.5  0.59  1.0
  Cr  Cr1  1  0.4  0.5  0.65  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.88  0.0  0.12  1.0

data_Cr2GaSe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.98
_cell_length_b   3.0
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   92.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Cr2GaSe
_chemical_formula_sum   'Cr2 Ga1 Se1'
_cell_volume   55.85
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Cr  Cr0  1  0.35  0.5  0.59  1.0
  Cr  Cr1  1  0.4  0.5  0.65  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.88  0.0  0.12  1.0

Cr Cr Ga Se
Cr Cr Ga Se 0 1 o o o 2 3 - o o 