data_Mn3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87
_cell_length_b   7.87
_cell_length_c   3.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   153.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3As
_chemical_formula_sum   'Mn6 As2'
_cell_volume   101.47
_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  Mn2  1  0.83  0.76  0.72  1.0
  Mn  Mn3  1  0.83  0.14  0.72  1.0
  Mn  Mn4  1  0.83  0.76  0.91  1.0
  Mn  Mn5  1  0.83  0.24  0.72  1.0
  Mn  Mn6  1  0.83  0.86  0.91  1.0
  Mn  Mn7  1  0.83  0.24  0.91  1.0
  As  As0  1  0.83  0.77  0.91  1.0
  As  As1  1  0.83  0.23  0.72  1.0

data_Mn3As
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.63
_cell_length_b   3.65
_cell_length_c   7.87
_cell_angle_alpha   103.42
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Mn3As
_chemical_formula_sum   'Mn6 As2'
_cell_volume   101.47
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.41  0.24  0.74  1.0
  Mn  Mn1  2  0.41  0.76  0.26  1.0
  Mn  Mn2  2  0.41  0.86  0.36  1.0
  As  As3  2  0.41  0.77  0.27  1.0

Mn Mn Mn Mn Mn Mn As As