data_MgGa2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   130.55
_cell_angle_beta   130.55
_cell_angle_gamma   72.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGa2Co
_chemical_formula_sum   'Mg1 Ga2 Co1'
_cell_volume   57.72
_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
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.96  0.89  1.0
  Ga  Ga2  1  0.96  0.0  0.89  1.0
  Co  Co0  1  0.0  0.0  0.77  1.0

data_MgGa2Co
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   126.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgGa2Co
_chemical_formula_sum   'Mg2 Ga4 Co2'
_cell_volume   115.43
_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  0.0  0.0  0.0  1.0
  Ga  Ga1  4  0.09  0.02  0.07  1.0
  Co  Co2  2  0.23  0.0  0.23  1.0

Mg Ga Ga Co