data_GaCoIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   146.99
_cell_angle_beta   146.99
_cell_angle_gamma   47.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCoIr
_chemical_formula_sum   'Ga1 Co1 Ir1'
_cell_volume   39.64
_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  0.0  0.0  0.19  1.0
  Co  Co0  1  0.0  0.0  0.3  1.0
  Ir  Ir2  1  0.0  0.0  0.26  1.0

data_GaCoIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   113.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaCoIr
_chemical_formula_sum   'Ga2 Co2 Ir2'
_cell_volume   79.29
_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
  Ga  Ga0  2  0.19  0.0  0.19  1.0
  Co  Co1  2  0.3  0.0  0.3  1.0
  Ir  Ir2  2  0.26  0.0  0.26  1.0

Ga Co Ir