# generated using pymatgen
data_Ba4CaMn2MoO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92983700
_cell_length_b   20.04847399
_cell_length_c   5.92977138
_cell_angle_alpha   98.50521922
_cell_angle_beta   120.00036048
_cell_angle_gamma   90.00015333
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4CaMn2MoO12
_chemical_formula_sum   'Ba8 Ca2 Mn4 Mo2 O24'
_cell_volume   601.53856439
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.31406800  0.94221900  0.62813700  1.0
  Ba  Ba1  1  0.81407400  0.44223600  0.62814600  1.0
  Ba  Ba2  1  0.18354700  0.55057800  0.36709500  1.0
  Ba  Ba3  1  0.68354400  0.05056700  0.36708700  1.0
  Ba  Ba4  1  0.89891300  0.69677800  0.79782800  1.0
  Ba  Ba5  1  0.39891000  0.19676300  0.79781600  1.0
  Ba  Ba6  1  0.61186200  0.83562000  0.22372500  1.0
  Ba  Ba7  1  0.11187400  0.33564300  0.22374500  1.0
  Ca  Ca8  1  0.25195600  0.75588700  0.50391300  1.0
  Ca  Ca9  1  0.75195900  0.25588700  0.50391500  1.0
  Mn  Mn10  1  0.99871700  0.99611500  0.99743500  1.0
  Mn  Mn11  1  0.45560800  0.36681700  0.91121200  1.0
  Mn  Mn12  1  0.49870900  0.49610500  0.99742000  1.0
  Mn  Mn13  1  0.95556900  0.86675400  0.91113700  1.0
  Mo  Mo14  1  0.54427100  0.63280300  0.08854600  1.0
  Mo  Mo15  1  0.04427100  0.13280700  0.08854300  1.0
  O  O16  1  0.83179200  0.93696200  0.10520600  1.0
  O  O17  1  0.33179400  0.43695200  0.10519500  1.0
  O  O18  1  0.83177000  0.93696600  0.66354100  1.0
  O  O19  1  0.33177100  0.43695700  0.66354300  1.0
  O  O20  1  0.27341400  0.93696200  0.10520700  1.0
  O  O21  1  0.77340400  0.43695300  0.10519800  1.0
  O  O22  1  0.66545700  0.56029500  0.89482700  1.0
  O  O23  1  0.16546500  0.06029900  0.89483000  1.0
  O  O24  1  0.66547500  0.56029100  0.33095400  1.0
  O  O25  1  0.16548300  0.06029400  0.33096900  1.0
  O  O26  1  0.22936800  0.56029500  0.89482800  1.0
  O  O27  1  0.72936500  0.06029800  0.89482800  1.0
  O  O28  1  0.40126100  0.67817800  0.27699000  1.0
  O  O29  1  0.90125400  0.17817200  0.27699200  1.0
  O  O30  1  0.40126100  0.67819600  0.80252800  1.0
  O  O31  1  0.90125400  0.17819200  0.80251000  1.0
  O  O32  1  0.87572500  0.67817800  0.27699000  1.0
  O  O33  1  0.37573700  0.17817400  0.27699100  1.0
  O  O34  1  0.09062300  0.81564100  0.72490700  1.0
  O  O35  1  0.59063400  0.31564000  0.72490500  1.0
  O  O36  1  0.09063400  0.81562500  0.18126800  1.0
  O  O37  1  0.59064500  0.31562200  0.18128000  1.0
  O  O38  1  0.63428400  0.81564100  0.72490800  1.0
  O  O39  1  0.13428200  0.31563800  0.72490300  1.0