# generated using pymatgen
data_CaNdMn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45571900
_cell_length_b   5.50210462
_cell_length_c   23.05982679
_cell_angle_alpha   89.95970890
_cell_angle_beta   89.99499590
_cell_angle_gamma   89.97277929
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNdMn2O6
_chemical_formula_sum   'Ca6 Nd6 Mn12 O36'
_cell_volume   692.20816944
_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
  Ca  Ca0  1  0.49009700  0.54106800  0.58035600  1.0
  Ca  Ca1  1  0.51150400  0.46113300  0.41891800  1.0
  Ca  Ca2  1  0.51165500  0.46050000  0.08433800  1.0
  Ca  Ca3  1  0.98938500  0.96045700  0.74801300  1.0
  Ca  Ca4  1  0.98931400  0.95981300  0.41799600  1.0
  Ca  Ca5  1  0.98797200  0.96053700  0.08399800  1.0
  Nd  Nd6  1  0.00945900  0.03877500  0.91756200  1.0
  Nd  Nd7  1  0.00917100  0.03981800  0.58172000  1.0
  Nd  Nd8  1  0.00797200  0.03992700  0.25080400  1.0
  Nd  Nd9  1  0.49130600  0.53912900  0.91805600  1.0
  Nd  Nd10  1  0.49238600  0.53964800  0.25098900  1.0
  Nd  Nd11  1  0.51128300  0.46099500  0.74738300  1.0
  Mn  Mn12  1  0.99977800  0.50116600  0.83188000  1.0
  Mn  Mn13  1  0.99953400  0.50132700  0.49865700  1.0
  Mn  Mn14  1  0.50042800  0.99958800  0.83176800  1.0
  Mn  Mn15  1  0.50081600  0.00087900  0.00284700  1.0
  Mn  Mn16  1  0.50096100  0.99990900  0.49866700  1.0
  Mn  Mn17  1  0.50064500  0.00064100  0.33615900  1.0
  Mn  Mn18  1  0.50066800  0.00113100  0.16491000  1.0
  Mn  Mn19  1  0.49991900  0.99855300  0.66546700  1.0
  Mn  Mn20  1  0.99881200  0.50069200  0.00286200  1.0
  Mn  Mn21  1  0.00170100  0.50234900  0.66517700  1.0
  Mn  Mn22  1  0.99933100  0.50026500  0.33640200  1.0
  Mn  Mn23  1  0.99920900  0.50139900  0.16504600  1.0
  O  O24  1  0.08027900  0.52020500  0.74898700  1.0
  O  O25  1  0.08484900  0.52498900  0.08388800  1.0
  O  O26  1  0.08404000  0.52314300  0.41716600  1.0
  O  O27  1  0.21604300  0.78410500  0.65195600  1.0
  O  O28  1  0.22022300  0.78047200  0.98466900  1.0
  O  O29  1  0.22154900  0.77943700  0.84902600  1.0
  O  O30  1  0.21596100  0.78417100  0.51405100  1.0
  O  O31  1  0.22082900  0.77966600  0.31834900  1.0
  O  O32  1  0.22115600  0.78074900  0.18271300  1.0
  O  O33  1  0.27851900  0.27960700  0.98460800  1.0
  O  O34  1  0.28159900  0.28240200  0.84807000  1.0
  O  O35  1  0.28046300  0.28011600  0.51544200  1.0
  O  O36  1  0.28509100  0.28560600  0.65138900  1.0
  O  O37  1  0.27835700  0.27927600  0.31815700  1.0
  O  O38  1  0.28009000  0.28014700  0.18272800  1.0
  O  O39  1  0.41815800  0.01927200  0.74890300  1.0
  O  O40  1  0.41488500  0.02495600  0.08403700  1.0
  O  O41  1  0.41709500  0.02484800  0.41713100  1.0
  O  O42  1  0.57699100  0.98640200  0.91688600  1.0
  O  O43  1  0.57796700  0.98108900  0.58256900  1.0
  O  O44  1  0.57536200  0.98627800  0.25047400  1.0
  O  O45  1  0.71537300  0.71639700  0.48595900  1.0
  O  O46  1  0.71294000  0.71260200  0.81975300  1.0
  O  O47  1  0.71856000  0.71779500  0.68046800  1.0
  O  O48  1  0.71134100  0.71193900  0.34644100  1.0
  O  O49  1  0.71210800  0.71349900  0.15387500  1.0
  O  O50  1  0.71132000  0.71185900  0.01314300  1.0
  O  O51  1  0.78161500  0.21773700  0.81837200  1.0
  O  O52  1  0.78394000  0.21770400  0.68081600  1.0
  O  O53  1  0.78920700  0.21176200  0.48688200  1.0
  O  O54  1  0.78745900  0.21307700  0.15385400  1.0
  O  O55  1  0.78776600  0.21250900  0.34627300  1.0
  O  O56  1  0.78770900  0.21208900  0.01302300  1.0
  O  O57  1  0.92406800  0.48541400  0.91665000  1.0
  O  O58  1  0.91862200  0.48200600  0.58281100  1.0
  O  O59  1  0.92516200  0.48698300  0.25050700  1.0