data_ScMn2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMn2Co
_chemical_formula_sum   'Sc1 Mn2 Co1'
_cell_volume   52.0
_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
  Sc  Sc3  1  0.0  0.0  0.29  1.0
  Mn  Mn1  1  0.0  0.0  0.09  1.0
  Mn  Mn2  1  0.41  0.41  0.28  1.0
  Co  Co0  1  0.41  0.41  0.18  1.0

data_ScMn2Co
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.98
_cell_length_b   3.98
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScMn2Co
_chemical_formula_sum   'Sc2 Mn4 Co2'
_cell_volume   103.99
_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
  Sc  Sc0  2  0.0  0.0  0.29  1.0
  Mn  Mn1  2  0.0  0.0  0.09  1.0
  Mn  Mn2  2  0.41  0.0  0.28  1.0
  Co  Co3  2  0.41  0.0  0.18  1.0

Sc Mn Mn Co
Sc Mn Mn Co 0 1 o o o 2 3 o o o 