data_ScMn2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58
_cell_length_b   4.11
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   104.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMn2Te
_chemical_formula_sum   'Sc1 Mn2 Te1'
_cell_volume   77.41
_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  0.05  0.0  0.85  1.0
  Mn  Mn0  1  0.61  0.0  0.25  1.0
  Mn  Mn1  1  0.45  0.06  0.96  1.0
  Te  Te3  1  0.25  0.06  0.84  1.0

data_ScMn2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   4.11
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   104.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMn2Te
_chemical_formula_sum   'Sc1 Mn2 Te1'
_cell_volume   77.41
_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  0.05  0.0  0.85  1.0
  Mn  Mn1  1  0.45  0.06  0.96  1.0
  Mn  Mn2  1  0.61  0.0  0.25  1.0
  Te  Te3  1  0.25  0.06  0.84  1.0

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