# generated using pymatgen
data_MnAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42267500
_cell_length_b   5.55722100
_cell_length_c   6.03514200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAs
_chemical_formula_sum   'Mn4 As4'
_cell_volume   114.79178889
_cell_formula_units_Z   4
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  0.75000000  0.99671000  0.18979800  1.0
  Mn  Mn1  1  0.25000000  0.00329000  0.81020200  1.0
  Mn  Mn2  1  0.75000000  0.49671000  0.31020200  1.0
  Mn  Mn3  1  0.25000000  0.50329000  0.68979800  1.0
  As  As4  1  0.75000000  0.80352600  0.58116900  1.0
  As  As5  1  0.25000000  0.19647400  0.41883100  1.0
  As  As6  1  0.75000000  0.30352600  0.91883100  1.0
  As  As7  1  0.25000000  0.69647400  0.08116900  1.0