data_MnAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   15.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAs3
_chemical_formula_sum   'Mn6 As18'
_cell_volume   485.74
_cell_formula_units_Z   6
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  Mn18  1  0.0  0.0  0.89  1.0
  Mn  Mn19  1  0.0  0.0  0.67  1.0
  Mn  Mn20  1  0.0  0.73  0.84  1.0
  Mn  Mn21  1  0.0  0.73  0.49  1.0
  Mn  Mn22  1  0.0  0.47  0.07  1.0
  Mn  Mn23  1  0.0  0.47  0.71  1.0
  As  As0  1  0.0  0.08  0.89  1.0
  As  As1  1  0.6  0.66  0.89  1.0
  As  As2  1  0.4  0.66  0.89  1.0
  As  As3  1  0.0  0.12  0.67  1.0
  As  As4  1  0.4  0.54  0.67  1.0
  As  As5  1  0.6  0.54  0.67  1.0
  As  As6  1  0.0  0.74  0.04  1.0
  As  As7  1  0.27  0.73  0.04  1.0
  As  As8  1  0.74  0.73  0.04  1.0
  As  As9  1  0.0  0.74  0.73  1.0
  As  As10  1  0.27  0.73  0.73  1.0
  As  As11  1  0.74  0.73  0.73  1.0
  As  As12  1  0.0  0.46  0.51  1.0
  As  As13  1  0.73  0.47  0.51  1.0
  As  As14  1  0.27  0.47  0.51  1.0
  As  As15  1  0.0  0.46  0.82  1.0
  As  As16  1  0.73  0.47  0.82  1.0
  As  As17  1  0.27  0.47  0.82  1.0

data_MnAs3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   15.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAs3
_chemical_formula_sum   'Mn6 As18'
_cell_volume   485.74
_cell_formula_units_Z   6
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  0.47  0.07  1.0
  Mn  Mn1  1  -0.0  0.47  0.71  1.0
  Mn  Mn2  1  0.0  0.0  0.67  1.0
  Mn  Mn3  1  0.0  0.0  0.89  1.0
  Mn  Mn4  1  0.0  0.73  0.49  1.0
  Mn  Mn5  1  0.0  0.73  0.84  1.0
  As  As6  1  -0.0  0.46  0.51  1.0
  As  As7  1  -0.0  0.46  0.82  1.0
  As  As8  1  -0.0  0.08  0.89  1.0
  As  As9  1  0.0  0.74  0.04  1.0
  As  As10  1  0.0  0.74  0.73  1.0
  As  As11  1  0.0  0.12  0.67  1.0
  As  As12  1  0.27  0.47  0.51  1.0
  As  As13  1  0.27  0.47  0.82  1.0
  As  As14  1  0.27  0.73  0.04  1.0
  As  As15  1  0.27  0.73  0.73  1.0
  As  As16  1  0.4  0.66  0.89  1.0
  As  As17  1  0.4  0.54  0.67  1.0
  As  As18  1  0.6  0.66  0.89  1.0
  As  As19  1  0.6  0.54  0.67  1.0
  As  As20  1  0.73  0.47  0.51  1.0
  As  As21  1  0.73  0.47  0.82  1.0
  As  As22  1  0.74  0.73  0.04  1.0
  As  As23  1  0.74  0.73  0.73  1.0

Mn Mn Mn Mn Mn Mn As As As As As As As As As As As As As As As As As As
Mn Mn Mn Mn Mn Mn As As As As As As As As As As As As As As As As As As 0 6 o o o 0 2 o - o 1 9 o o o 1 15 o - o 2 22 - o o 2 15 o o o 2 21 o o o 3 19 - o o 3 18 o o o 4 12 o o o 4 13 o o o 5 15 o o o 5 21 o o o 5 16 o o o 7 8 o o o 8 23 o o o 10 11 o o o 11 17 o o o 12 14 - o o 12 13 o o o 15 17 - o o 15 16 o o o 18 19 - o o 18 20 o o o 21 22 - o o 21 23 o o o 