data_Ga2CoSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.39
_cell_angle_alpha   100.96
_cell_angle_beta   100.96
_cell_angle_gamma   38.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2CoSe
_chemical_formula_sum   'Ga2 Co1 Se1'
_cell_volume   63.81
_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
  Ga  Ga1  1  0.53  0.0  0.95  1.0
  Ga  Ga2  1  0.86  0.0  0.36  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.19  0.0  0.15  1.0

data_Ga2CoSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.39
_cell_length_c   4.9
_cell_angle_alpha   100.96
_cell_angle_beta   109.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2CoSe
_chemical_formula_sum   'Ga2 Co1 Se1'
_cell_volume   63.81
_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
  Ga  Ga0  1  0.0  0.36  0.86  1.0
  Ga  Ga1  1  0.0  0.95  0.53  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.15  0.19  1.0

Ga Ga Co Se
Ga Ga Co Se 0 3 o o + 0 2 + o + 0 1 o o + 1 3 + o o 1 2 + o o 2 3 o o o 