data_MnSb2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   6.74
_cell_angle_alpha   152.64
_cell_angle_beta   142.37
_cell_angle_gamma   47.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSb2Se
_chemical_formula_sum   'Mn1 Sb2 Se1'
_cell_volume   85.75
_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  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.18  0.04  1.0
  Sb  Sb2  1  0.59  0.0  0.14  1.0
  Se  Se3  1  0.0  0.0  0.18  1.0

data_MnSb2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.35
_cell_length_c   6.74
_cell_angle_alpha   108.82
_cell_angle_beta   103.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSb2Se
_chemical_formula_sum   'Mn1 Sb2 Se1'
_cell_volume   85.75
_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  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.14  0.55  1.0
  Sb  Sb2  1  0.82  0.87  0.87  1.0
  Se  Se3  1  0.0  0.18  0.18  1.0

Mn Sb Sb Se