# generated using pymatgen
data_SrMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42140775
_cell_length_b   5.42140784
_cell_length_c   13.37753335
_cell_angle_alpha   89.99999897
_cell_angle_beta   90.00000150
_cell_angle_gamma   119.99995005
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMnO3
_chemical_formula_sum   'Sr6 Mn6 O18'
_cell_volume   340.51092050
_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
  Sr  Sr0  1  -0.00000000  0.00000007  0.25000007  1.0
  Sr  Sr1  1  -0.00000015  0.00000001  0.74999992  1.0
  Sr  Sr2  1  0.33333309  0.66666679  0.41022008  1.0
  Sr  Sr3  1  0.66666671  0.33333320  0.58976290  1.0
  Sr  Sr4  1  0.66666679  0.33333325  0.91023701  1.0
  Sr  Sr5  1  0.33333319  0.66666682  0.08978017  1.0
  Mn  Mn6  1  0.00000009  0.00000000  0.49999580  1.0
  Mn  Mn7  1  0.00000000  0.00000002  0.00000416  1.0
  Mn  Mn8  1  0.33333331  0.66666666  0.65585188  1.0
  Mn  Mn9  1  0.66666666  0.33333350  0.34414543  1.0
  Mn  Mn10  1  0.66666663  0.33333345  0.15585461  1.0
  Mn  Mn11  1  0.33333325  0.66666668  0.84414814  1.0
  O  O12  1  0.51439271  0.48560797  0.24999998  1.0
  O  O13  1  0.51439265  0.02878510  0.24999997  1.0
  O  O14  1  0.97121499  0.48560675  0.24999997  1.0
  O  O15  1  0.48560559  0.51439514  0.75000002  1.0
  O  O16  1  0.48560423  0.97121068  0.74999999  1.0
  O  O17  1  0.02878935  0.51439515  0.74999999  1.0
  O  O18  1  0.83534475  0.16465498  0.41887813  1.0
  O  O19  1  0.83534506  0.67068998  0.41887798  1.0
  O  O20  1  0.32931011  0.16465547  0.41887797  1.0
  O  O21  1  0.16465769  0.83534189  0.58111149  1.0
  O  O22  1  0.16465789  0.32931470  0.58111206  1.0
  O  O23  1  0.67068534  0.83534252  0.58111205  1.0
  O  O24  1  0.16465754  0.83534209  0.91888852  1.0
  O  O25  1  0.16465779  0.32931471  0.91888803  1.0
  O  O26  1  0.67068532  0.83534267  0.91888803  1.0
  O  O27  1  0.83534447  0.16465519  0.08112159  1.0
  O  O28  1  0.83534506  0.67069016  0.08112203  1.0
  O  O29  1  0.32930989  0.16465540  0.08112204  1.0