data_YGaSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   5.97
_cell_angle_alpha   139.55
_cell_angle_beta   139.55
_cell_angle_gamma   58.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGaSe2
_chemical_formula_sum   'Y1 Ga1 Se2'
_cell_volume   88.72
_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
  Y  Y3  1  0.0  0.06  0.6  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.06  0.0  0.6  1.0
  Se  Se2  1  0.0  0.0  0.21  1.0

data_YGaSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   5.97
_cell_angle_alpha   110.23
_cell_angle_beta   110.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGaSe2
_chemical_formula_sum   'Y1 Ga1 Se2'
_cell_volume   88.72
_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
  Y  Y0  1  0.54  0.6  0.54  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.21  0.21  0.21  1.0
  Se  Se3  1  0.6  0.54  0.54  1.0

Y Ga Se Se