data_MnAlCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   2.57
_cell_angle_alpha   101.31
_cell_angle_beta   101.31
_cell_angle_gamma   115.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAlCo2
_chemical_formula_sum   'Mn1 Al1 Co2'
_cell_volume   47.97
_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
  Mn  Mn3  1  0.53  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.79  0.99  0.19  1.0
  Co  Co2  1  0.79  0.01  0.19  1.0

data_MnAlCo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.9
_cell_length_b   8.1
_cell_length_c   2.57
_cell_angle_alpha   90.0
_cell_angle_beta   109.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnAlCo2
_chemical_formula_sum   'Mn2 Al2 Co4'
_cell_volume   95.98
_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
  Mn  Mn0  2  0.03  0.5  0.53  1.0
  Al  Al1  2  0.0  0.0  0.0  1.0
  Co  Co2  4  0.3  0.49  0.6  1.0

Mn Al Co Co
Mn Al Co Co 0 2 o - o 0 3 o o o 1 2 - - o 1 3 - o o 2 3 o + o 