# generated using pymatgen
data_ScMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85748645
_cell_length_b   5.85748599
_cell_length_c   11.18225755
_cell_angle_alpha   89.99999734
_cell_angle_beta   89.99999650
_cell_angle_gamma   120.00033005
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMnO3
_chemical_formula_sum   'Sc6 Mn6 O18'
_cell_volume   332.26242417
_cell_formula_units_Z   6
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
  Sc  Sc0  1  0.00000127  0.00000176  0.27530243  1.0
  Sc  Sc1  1  -0.00000151  -0.00000319  0.77530283  1.0
  Sc  Sc2  1  0.33333453  0.66666765  0.23025463  1.0
  Sc  Sc3  1  0.66666610  0.33333279  0.73025667  1.0
  Sc  Sc4  1  0.33333244  0.66666594  0.73025654  1.0
  Sc  Sc5  1  0.66666732  0.33333374  0.23025466  1.0
  Mn  Mn6  1  0.33320440  -0.00001046  0.00014733  1.0
  Mn  Mn7  1  0.33321797  0.33321830  0.50014692  1.0
  Mn  Mn8  1  0.00001022  0.66679653  0.50014812  1.0
  Mn  Mn9  1  -0.00001015  0.33320450  0.00014699  1.0
  Mn  Mn10  1  0.66678100  0.66678116  0.00014567  1.0
  Mn  Mn11  1  0.66679657  0.00001019  0.50014811  1.0
  O  O12  1  0.66666766  0.33333498  0.02553495  1.0
  O  O13  1  0.33333241  0.66666520  0.52553508  1.0
  O  O14  1  0.66666512  0.33333252  0.52553510  1.0
  O  O15  1  0.33333486  0.66666760  0.02553495  1.0
  O  O16  1  0.00000252  0.00000244  0.96935758  1.0
  O  O17  1  -0.00000255  -0.00000241  0.46935696  1.0
  O  O18  1  0.36520654  -0.00000059  0.83305604  1.0
  O  O19  1  0.36520102  0.36520105  0.33305423  1.0
  O  O20  1  0.00000054  0.63479762  0.33305446  1.0
  O  O21  1  -0.00000059  0.36520665  0.83305607  1.0
  O  O22  1  0.63479471  0.63479480  0.83305574  1.0
  O  O23  1  0.63479756  0.00000063  0.33305446  1.0
  O  O24  1  0.30249683  -0.00000023  0.16814896  1.0
  O  O25  1  0.30250071  0.30250073  0.66815186  1.0
  O  O26  1  0.00000032  0.69749977  0.66815181  1.0
  O  O27  1  -0.00000034  0.30249689  0.16814900  1.0
  O  O28  1  0.69750284  0.69750301  0.16814902  1.0
  O  O29  1  0.69749969  0.00000043  0.66815182  1.0