# generated using pymatgen
data_Ca2Mn9Nb3As7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74832081
_cell_length_b   10.28520447
_cell_length_c   10.28520459
_cell_angle_alpha   120.00000359
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Mn9Nb3As7
_chemical_formula_sum   'Ca2 Mn9 Nb3 As7'
_cell_volume   343.39442109
_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  0.00000000  0.66666700  0.33333300  1.0
  Ca  Ca1  1  0.50000000  0.33333300  0.66666700  1.0
  Mn  Mn2  1  0.00000000  0.56305123  0.95396199  1.0
  Mn  Mn3  1  0.00000000  0.39091075  0.43694877  1.0
  Mn  Mn4  1  0.00000000  0.04603801  0.60908925  1.0
  Mn  Mn5  1  0.00000000  0.88630776  0.16980736  1.0
  Mn  Mn6  1  0.00000000  0.28349960  0.11369224  1.0
  Mn  Mn7  1  0.00000000  0.83019264  0.71650040  1.0
  Mn  Mn8  1  0.50000000  0.95384122  0.38361128  1.0
  Mn  Mn9  1  0.50000000  0.42976906  0.04615878  1.0
  Mn  Mn10  1  0.50000000  0.61638872  0.57023094  1.0
  Nb  Nb11  1  0.50000000  0.78496536  0.91083372  1.0
  Nb  Nb12  1  0.50000000  0.12586836  0.21503464  1.0
  Nb  Nb13  1  0.50000000  0.08916628  0.87413164  1.0
  As  As14  1  0.00000000  0.00000000  0.00000000  1.0
  As  As15  1  0.50000000  0.70823029  0.12782771  1.0
  As  As16  1  0.50000000  0.41959842  0.29176971  1.0
  As  As17  1  0.50000000  0.87217229  0.58040158  1.0
  As  As18  1  0.00000000  0.58290399  0.71975332  1.0
  As  As19  1  0.00000000  0.13685133  0.41709601  1.0
  As  As20  1  0.00000000  0.28024668  0.86314867  1.0