# generated using pymatgen
data_MnAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75118095
_cell_length_b   5.71622928
_cell_length_c   6.48869679
_cell_angle_alpha   90.00055910
_cell_angle_beta   90.00253454
_cell_angle_gamma   90.00023240
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAs
_chemical_formula_sum   'Mn4 As4'
_cell_volume   139.13459679
_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  0.75000973  0.00025876  0.75009631  1.0
  Mn  Mn1  1  0.25000165  0.99973808  0.24991017  1.0
  Mn  Mn2  1  0.25000157  0.49974303  0.25009969  1.0
  Mn  Mn3  1  0.75000971  0.50026271  0.74990962  1.0
  As  As4  1  0.25000229  0.75010919  0.58330225  1.0
  As  As5  1  0.74999674  0.74990549  0.08326635  1.0
  As  As6  1  0.24997953  0.25010259  0.91668449  1.0
  As  As7  1  0.75000180  0.24987915  0.41673113  1.0