# generated using pymatgen
data_Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02812081
_cell_length_b   6.02812081
_cell_length_c   6.02812081
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn
_chemical_formula_sum   Mn20
_cell_volume   219.05130376
_cell_formula_units_Z   20
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  0.05335800  0.05335800  0.05335800  1
  Mn  Mn1  1  0.30335800  0.19664200  0.80335800  1
  Mn  Mn2  1  0.80335800  0.30335800  0.19664200  1
  Mn  Mn3  1  0.19664200  0.80335800  0.30335800  1
  Mn  Mn4  1  0.44664200  0.94664200  0.55335800  1
  Mn  Mn5  1  0.55335800  0.44664200  0.94664200  1
  Mn  Mn6  1  0.94664200  0.55335800  0.44664200  1
  Mn  Mn7  1  0.69664200  0.69664200  0.69664200  1
  Mn  Mn8  1  0.12500000  0.19705700  0.44705700  1
  Mn  Mn9  1  0.37500000  0.80294300  0.94705700  1
  Mn  Mn10  1  0.87500000  0.69705700  0.05294300  1
  Mn  Mn11  1  0.19705700  0.44705700  0.12500000  1
  Mn  Mn12  1  0.80294300  0.94705700  0.37500000  1
  Mn  Mn13  1  0.05294300  0.87500000  0.69705700  1
  Mn  Mn14  1  0.44705700  0.12500000  0.19705700  1
  Mn  Mn15  1  0.30294300  0.55294300  0.62500000  1
  Mn  Mn16  1  0.94705700  0.37500000  0.80294300  1
  Mn  Mn17  1  0.55294300  0.62500000  0.30294300  1
  Mn  Mn18  1  0.69705700  0.05294300  0.87500000  1
  Mn  Mn19  1  0.62500000  0.30294300  0.55294300  1
