data_Sc2MnGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2MnGe
_chemical_formula_sum   'Sc2 Mn1 Ge1'
_cell_volume   67.97
_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
  Sc  Sc2  1  0.3  0.0  0.45  1.0
  Sc  Sc3  1  0.3  0.0  0.76  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.11  1.0

data_Sc2MnGe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Sc2MnGe
_chemical_formula_sum   'Sc2 Mn1 Ge1'
_cell_volume   68.0
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Sc0  1  0.3  0.0  0.45  1.0
  Sc  Sc1  1  0.3  0.0  0.76  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.0  0.0  0.11  1.0

Sc Sc Mn Ge