# generated using pymatgen
data_MnReO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73419018
_cell_length_b   6.89144320
_cell_length_c   7.25773250
_cell_angle_alpha   86.25657868
_cell_angle_beta   89.55676937
_cell_angle_gamma   90.13309705
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnReO4
_chemical_formula_sum   'Mn4 Re4 O16'
_cell_volume   286.18106967
_cell_formula_units_Z   4
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
  Mn  Mn0  1  0.67549900  0.87449400  0.37604500  1.0
  Mn  Mn1  1  0.32452300  0.12553100  0.62393200  1.0
  Mn  Mn2  1  0.67548700  0.37447200  0.87606700  1.0
  Mn  Mn3  1  0.32451700  0.62551700  0.12394900  1.0
  Re  Re4  1  0.16746700  0.62399700  0.62535500  1.0
  Re  Re5  1  0.16740800  0.12397100  0.12531700  1.0
  Re  Re6  1  0.83258300  0.87601300  0.87464500  1.0
  Re  Re7  1  0.83265600  0.37603300  0.37468000  1.0
  O  O8  1  0.36888900  0.42662800  0.68781900  1.0
  O  O9  1  0.36892300  0.92657400  0.18780800  1.0
  O  O10  1  0.36950700  0.32482800  0.06267400  1.0
  O  O11  1  0.36948300  0.82478100  0.56269900  1.0
  O  O12  1  0.63110600  0.57341800  0.31218500  1.0
  O  O13  1  0.63108600  0.07335600  0.81219500  1.0
  O  O14  1  0.63051600  0.67521100  0.93728000  1.0
  O  O15  1  0.63051900  0.17518200  0.43733000  1.0
  O  O16  1  0.89703500  0.42513700  0.63091500  1.0
  O  O17  1  0.89701000  0.92507700  0.13084800  1.0
  O  O18  1  0.89660900  0.32259800  0.11744300  1.0
  O  O19  1  0.89661800  0.82263600  0.61745400  1.0
  O  O20  1  0.10333300  0.67738700  0.88257500  1.0
  O  O21  1  0.10336200  0.17741300  0.38258900  1.0
  O  O22  1  0.10295400  0.57490400  0.36913600  1.0
  O  O23  1  0.10291100  0.07484100  0.86906800  1.0