data_Mn2SbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   3.54
_cell_angle_alpha   99.08
_cell_angle_beta   99.08
_cell_angle_gamma   100.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2SbSe
_chemical_formula_sum   'Mn2 Sb1 Se1'
_cell_volume   76.82
_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
  Mn  Mn0  1  0.09  0.17  0.72  1.0
  Mn  Mn1  1  0.09  0.83  0.72  1.0
  Sb  Sb2  1  0.05  0.0  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Mn2SbSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   100.47
_cell_angle_beta   99.08
_cell_angle_gamma   99.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2SbSe
_chemical_formula_sum   'Mn2 Sb1 Se1'
_cell_volume   76.82
_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
  Mn  Mn0  1  0.72  0.09  0.83  1.0
  Mn  Mn1  1  0.72  0.09  0.17  1.0
  Sb  Sb2  1  -0.0  0.05  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Mn Mn Sb Se