# generated using pymatgen
data_ScMn2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27431675
_cell_length_b   5.27431675
_cell_length_c   9.89139000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   135.53445207
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMn2O5
_chemical_formula_sum   'Sc2 Mn4 O10'
_cell_volume   192.74611906
_cell_formula_units_Z   2
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  0.79645000  0.20355000  0.25000000  1.0
  Sc  Sc1  1  0.20355000  0.79645000  0.75000000  1.0
  Mn  Mn2  1  0.86173900  0.13826100  0.55585800  1.0
  Mn  Mn3  1  0.86173900  0.13826100  0.94414200  1.0
  Mn  Mn4  1  0.13826100  0.86173900  0.05585800  1.0
  Mn  Mn5  1  0.13826100  0.86173900  0.44414200  1.0
  O  O6  1  0.95216100  0.04783900  0.11508100  1.0
  O  O7  1  0.95216100  0.04783900  0.38491900  1.0
  O  O8  1  0.68750600  0.31249400  0.44570500  1.0
  O  O9  1  0.68750600  0.31249400  0.05429500  1.0
  O  O10  1  0.21939700  0.78060300  0.25000000  1.0
  O  O11  1  0.04783900  0.95216100  0.61508100  1.0
  O  O12  1  0.31249400  0.68750600  0.55429500  1.0
  O  O13  1  0.78060300  0.21939700  0.75000000  1.0
  O  O14  1  0.04783900  0.95216100  0.88491900  1.0
  O  O15  1  0.31249400  0.68750600  0.94570500  1.0