data_Sc2MnTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   3.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2MnTe
_chemical_formula_sum   'Sc2 Mn1 Te1'
_cell_volume   76.37
_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  Sc1  1  0.0  0.27  0.85  1.0
  Sc  Sc2  1  0.27  0.0  0.85  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.27  0.27  0.0  1.0

data_Sc2MnTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   3.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2MnTe
_chemical_formula_sum   'Sc4 Mn2 Te2'
_cell_volume   152.73
_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  4  0.14  0.14  0.85  1.0
  Mn  Mn1  2  0.0  0.0  0.0  1.0
  Te  Te2  2  0.27  0.0  0.0  1.0

Sc Sc Mn Te
Sc Sc Mn Te 0 2 o o + 0 3 o o + 1 2 o o + 1 3 o o + 