data_Mn3Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.66
_cell_length_b   7.66
_cell_length_c   7.66
_cell_angle_alpha   100.6
_cell_angle_beta   100.6
_cell_angle_gamma   129.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Se5
_chemical_formula_sum   'Mn6 Se10'
_cell_volume   315.25
_cell_formula_units_Z   2
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  0.64  1.0
  Mn  Mn1  1  0.0  0.0  0.93  1.0
  Mn  Mn2  1  0.4  0.49  0.29  1.0
  Mn  Mn3  1  0.49  0.4  0.0  1.0
  Mn  Mn4  1  0.4  0.3  0.0  1.0
  Mn  Mn5  1  0.49  0.6  0.29  1.0
  Se  Se6  1  0.0  0.9  0.64  1.0
  Se  Se7  1  0.9  0.0  0.64  1.0
  Se  Se8  1  0.78  0.02  0.0  1.0
  Se  Se9  1  0.12  0.87  0.29  1.0
  Se  Se10  1  0.88  0.87  0.0  1.0
  Se  Se11  1  0.01  0.02  0.29  1.0
  Se  Se12  1  0.92  0.88  0.0  1.0
  Se  Se13  1  0.98  0.01  0.29  1.0
  Se  Se14  1  0.87  0.88  0.29  1.0
  Se  Se15  1  0.02  0.01  0.0  1.0

data_Mn3Se5
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.58
_cell_length_b   7.66
_cell_length_c   7.66
_cell_angle_alpha   79.4
_cell_angle_beta   64.6
_cell_angle_gamma   64.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Se5
_chemical_formula_sum   'Mn6 Se10'
_cell_volume   315.25
_cell_formula_units_Z   2
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  0.07  1.0
  Mn  Mn1  1  0.0  0.0  0.36  1.0
  Mn  Mn2  1  0.3  0.1  0.0  1.0
  Mn  Mn3  1  0.4  0.09  0.0  1.0
  Mn  Mn4  1  0.49  0.91  0.71  1.0
  Mn  Mn5  1  0.6  0.9  0.71  1.0
  Se  Se6  1  0.0  0.9  0.36  1.0
  Se  Se7  1  0.01  0.01  0.0  1.0
  Se  Se8  1  0.01  0.96  0.71  1.0
  Se  Se9  1  0.02  0.75  0.0  1.0
  Se  Se10  1  0.02  0.99  0.71  1.0
  Se  Se11  1  0.87  0.01  0.0  1.0
  Se  Se12  1  0.87  0.25  0.71  1.0
  Se  Se13  1  0.88  0.04  0.0  1.0
  Se  Se14  1  0.88  0.99  0.71  1.0
  Se  Se15  1  0.9  0.1  0.36  1.0

Mn Mn Mn Mn Mn Mn Se Se Se Se Se Se Se Se Se Se