data_Sc2MnTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   137.74
_cell_angle_beta   127.17
_cell_angle_gamma   69.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2MnTe
_chemical_formula_sum   'Sc2 Mn1 Te1'
_cell_volume   74.7
_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  0.88  0.0  0.91  1.0
  Sc  Sc2  1  0.0  0.32  0.37  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.28  1.0

data_Sc2MnTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   4.64
_cell_length_c   5.22
_cell_angle_alpha   116.41
_cell_angle_beta   111.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2MnTe
_chemical_formula_sum   'Sc2 Mn1 Te1'
_cell_volume   74.7
_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  0.91  0.03  1.0
  Sc  Sc1  1  0.68  0.04  0.04  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.28  0.28  1.0

Sc Sc Mn Te