data_Sc2MnCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   5.24
_cell_angle_alpha   101.88
_cell_angle_beta   101.88
_cell_angle_gamma   37.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2MnCr
_chemical_formula_sum   'Sc2 Mn1 Cr1'
_cell_volume   73.0
_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  Sc2  1  0.57  0.0  0.27  1.0
  Sc  Sc3  1  0.42  0.0  0.84  1.0
  Mn  Mn1  1  1.0  0.0  0.56  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_Sc2MnCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.83
_cell_length_c   5.24
_cell_angle_alpha   101.88
_cell_angle_beta   90.0
_cell_angle_gamma   108.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2MnCr
_chemical_formula_sum   'Sc2 Mn1 Cr1'
_cell_volume   73.0
_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  Sc0  1  0.0  0.43  0.73  1.0
  Sc  Sc1  1  0.0  0.58  0.16  1.0
  Mn  Mn2  1  0.0  0.0  0.44  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0

Sc Sc Mn Cr
Sc Sc Mn Cr 0 1 o o - 0 2 o o o 0 3 + o o 0 3 o o o 1 2 - o o 1 3 o o + 1 3 + o + 2 3 + o + 2 3 + o o 