data_ScMn2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   135.45
_cell_angle_beta   133.4
_cell_angle_gamma   66.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMn2Te
_chemical_formula_sum   'Sc1 Mn2 Te1'
_cell_volume   72.11
_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  0.0  0.0  0.0  1.0
  Mn  Mn0  1  0.99  0.0  0.19  1.0
  Mn  Mn1  1  0.0  0.07  0.19  1.0
  Te  Te3  1  0.0  0.0  0.38  1.0

data_ScMn2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   4.14
_cell_length_c   5.24
_cell_angle_alpha   113.3
_cell_angle_beta   112.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMn2Te
_chemical_formula_sum   'Sc1 Mn2 Te1'
_cell_volume   72.11
_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  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.19  0.21  1.0
  Mn  Mn2  1  0.93  0.12  0.12  1.0
  Te  Te3  1  0.0  0.38  0.38  1.0

Sc Mn Mn Te