# generated using pymatgen
data_Ba2Ni3MoAs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73592226
_cell_length_b   6.99849635
_cell_length_c   5.73112208
_cell_angle_alpha   65.85657273
_cell_angle_beta   90.01139932
_cell_angle_gamma   90.00196880
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Ni3MoAs4
_chemical_formula_sum   'Ba2 Ni3 Mo1 As4'
_cell_volume   209.93852604
_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
  Ba  Ba0  1  0.99329812  0.99997118  0.00001594  1.0
  Ba  Ba1  1  0.50651867  0.99997587  0.50002769  1.0
  Ni  Ni2  1  0.24981778  0.49912421  0.00043997  1.0
  Ni  Ni3  1  0.75028411  0.50042431  0.99956597  1.0
  Ni  Ni4  1  0.74978897  0.50059405  0.49985387  1.0
  Mo  Mo5  1  0.25034595  0.49989708  0.50007308  1.0
  As  As6  1  0.50383010  0.69849103  0.14559485  1.0
  As  As7  1  0.99621128  0.69834000  0.65579753  1.0
  As  As8  1  0.99565891  0.30184207  0.34429387  1.0
  As  As9  1  0.50424611  0.30133819  0.85434023  1.0