data_MnAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   142.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAs
_chemical_formula_sum   'Mn2 As2'
_cell_volume   59.24
_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  0.59  0.23  0.02  1.0
  Mn  Mn3  1  0.59  0.77  0.01  1.0
  As  As0  1  0.59  0.62  0.02  1.0
  As  As1  1  0.59  0.38  0.01  1.0

data_MnAs
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   3.18
_cell_length_b   4.02
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   108.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   MnAs
_chemical_formula_sum   'Mn2 As2'
_cell_volume   59.24
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  '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  0.23  0.5  0.73  1.0
  As  As1  2  0.38  0.5  0.88  1.0

Mn Mn As As