# generated using pymatgen
data_ZrMn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87040852
_cell_length_b   4.87040852
_cell_length_c   7.98935037
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMn3
_chemical_formula_sum   'Zr3 Mn9'
_cell_volume   164.12429745
_cell_formula_units_Z   3
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
  Zr  Zr0  1  0.66666700  0.33333300  0.55345300  1
  Zr  Zr1  1  0.66666700  0.33333300  0.93528100  1
  Zr  Zr2  1  0.00000000  0.00000000  0.07378300  1
  Mn  Mn3  1  0.33333300  0.66666700  0.50104200  1
  Mn  Mn4  1  0.33333300  0.66666700  0.00329500  1
  Mn  Mn5  1  0.99226800  0.49613400  0.25800400  1
  Mn  Mn6  1  0.50386600  0.49613400  0.25800400  1
  Mn  Mn7  1  0.50386600  0.00773200  0.25800400  1
  Mn  Mn8  1  0.67705800  0.83852900  0.74296700  1
  Mn  Mn9  1  0.16147100  0.83852900  0.74296700  1
  Mn  Mn10  1  0.16147100  0.32294200  0.74296700  1
  Mn  Mn11  1  0.00000000  0.00000000  0.43028400  1
