data_MnAs5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61
_cell_length_b   6.61
_cell_length_c   7.2
_cell_angle_alpha   105.51
_cell_angle_beta   105.51
_cell_angle_gamma   29.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAs5
_chemical_formula_sum   'Mn1 As5'
_cell_volume   148.51
_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  Mn5  1  0.79  0.0  0.37  1.0
  As  As0  1  0.08  0.0  0.02  1.0
  As  As1  1  0.52  0.0  0.08  1.0
  As  As2  1  0.55  0.0  0.44  1.0
  As  As3  1  0.89  0.0  0.88  1.0
  As  As4  1  0.88  0.0  0.21  1.0

data_MnAs5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   6.61
_cell_length_c   7.2
_cell_angle_alpha   105.51
_cell_angle_beta   90.0
_cell_angle_gamma   104.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAs5
_chemical_formula_sum   'Mn1 As5'
_cell_volume   148.51
_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  0.21  0.63  1.0
  As  As1  1  0.0  0.11  0.12  1.0
  As  As2  1  0.0  0.12  0.79  1.0
  As  As3  1  0.0  0.45  0.56  1.0
  As  As4  1  0.0  0.48  0.92  1.0
  As  As5  1  0.0  0.92  0.98  1.0

Mn As As As As As