# generated using pymatgen
data_Ca6Nd6ScMn11O36
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46032000
_cell_length_b   5.51566015
_cell_length_c   23.16753638
_cell_angle_alpha   89.98738359
_cell_angle_beta   89.93095580
_cell_angle_gamma   89.98677628
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca6Nd6ScMn11O36
_chemical_formula_sum   'Ca6 Nd6 Sc1 Mn11 O36'
_cell_volume   697.74239278
_cell_formula_units_Z   1
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
  Ca  Ca0  1  0.98955100  0.95901100  0.25589400  1.0
  Ca  Ca1  1  0.51003800  0.45835700  0.58399300  1.0
  Ca  Ca2  1  0.50872100  0.45795900  0.25479300  1.0
  Ca  Ca3  1  0.48992800  0.54075700  0.74429800  1.0
  Ca  Ca4  1  0.00969000  0.04168300  0.74507600  1.0
  Ca  Ca5  1  0.00967200  0.04148400  0.41610900  1.0
  Nd  Nd6  1  0.98671700  0.96232000  0.91060800  1.0
  Nd  Nd7  1  0.99138000  0.95883000  0.58294100  1.0
  Nd  Nd8  1  0.50733300  0.45962900  0.91085700  1.0
  Nd  Nd9  1  0.49102200  0.54132100  0.41688300  1.0
  Nd  Nd10  1  0.49249100  0.54086000  0.08901200  1.0
  Nd  Nd11  1  0.01350600  0.03827200  0.08962500  1.0
  Sc  Sc12  1  0.99988900  0.50006100  0.99998000  1.0
  Mn  Mn13  1  0.00224700  0.50107400  0.82775100  1.0
  Mn  Mn14  1  0.99921000  0.49842400  0.50022900  1.0
  Mn  Mn15  1  0.99754800  0.49877500  0.17232400  1.0
  Mn  Mn16  1  0.49674800  0.99986000  0.82765500  1.0
  Mn  Mn17  1  0.49921000  0.00215900  0.49974400  1.0
  Mn  Mn18  1  0.50454100  0.99920700  0.17228700  1.0
  Mn  Mn19  1  0.50074700  0.00037700  0.99986500  1.0
  Mn  Mn20  1  0.50020100  0.99998000  0.66585800  1.0
  Mn  Mn21  1  0.49931200  0.00159400  0.33414700  1.0
  Mn  Mn22  1  0.00193100  0.49896300  0.66571800  1.0
  Mn  Mn23  1  0.99810900  0.49945100  0.33422100  1.0
  O  O24  1  0.91434200  0.47613500  0.74825700  1.0
  O  O25  1  0.92117700  0.48267600  0.08784300  1.0
  O  O26  1  0.92128300  0.48138300  0.41694700  1.0
  O  O27  1  0.77848900  0.22065900  0.84659500  1.0
  O  O28  1  0.78641600  0.21390200  0.65137500  1.0
  O  O29  1  0.78318400  0.21585700  0.51400000  1.0
  O  O30  1  0.77562200  0.20551300  0.98314000  1.0
  O  O31  1  0.79417300  0.20443200  0.18211900  1.0
  O  O32  1  0.78326800  0.21670000  0.32085800  1.0
  O  O33  1  0.70258800  0.72197700  0.98371100  1.0
  O  O34  1  0.72010000  0.72053900  0.84680700  1.0
  O  O35  1  0.71519800  0.71597800  0.51433000  1.0
  O  O36  1  0.71953700  0.71847500  0.64972500  1.0
  O  O37  1  0.70974700  0.71250100  0.32200100  1.0
  O  O38  1  0.70773900  0.70545300  0.18143100  1.0
  O  O39  1  0.58447900  0.97396500  0.74676400  1.0
  O  O40  1  0.58129200  0.98181700  0.41759800  1.0
  O  O41  1  0.58395300  0.98305500  0.08601700  1.0
  O  O42  1  0.41633600  0.01733200  0.91405200  1.0
  O  O43  1  0.42075000  0.01935400  0.58233400  1.0
  O  O44  1  0.41415000  0.02370300  0.25321500  1.0
  O  O45  1  0.29169900  0.29395100  0.81848500  1.0
  O  O46  1  0.28489700  0.28319100  0.67919300  1.0
  O  O47  1  0.28347700  0.28349800  0.48578200  1.0
  O  O48  1  0.28526100  0.28632100  0.34860700  1.0
  O  O49  1  0.29719400  0.27823200  0.01641100  1.0
  O  O50  1  0.28159000  0.28023900  0.15347200  1.0
  O  O51  1  0.21117800  0.78785900  0.67790100  1.0
  O  O52  1  0.20717800  0.79381200  0.81811400  1.0
  O  O53  1  0.22412600  0.79492000  0.01692500  1.0
  O  O54  1  0.22198800  0.77959500  0.15332600  1.0
  O  O55  1  0.21572200  0.78427500  0.48561800  1.0
  O  O56  1  0.21862200  0.78129500  0.35017600  1.0
  O  O57  1  0.07879300  0.51692900  0.91227700  1.0
  O  O58  1  0.08038000  0.51747900  0.58294100  1.0
  O  O59  1  0.08433200  0.52659000  0.25178100  1.0