# generated using pymatgen
data_BaCa(MoO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84037961
_cell_length_b   5.84037961
_cell_length_c   7.57988700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999561
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCa(MoO2)4
_chemical_formula_sum   'Ba1 Ca1 Mo4 O8'
_cell_volume   223.91105421
_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  0.00000000  0.00000000  0.00000000  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.50000000  1.0
  Mo  Mo2  1  0.33333300  0.66666700  0.73021100  1.0
  Mo  Mo3  1  0.66666700  0.33333300  0.73021100  1.0
  Mo  Mo4  1  0.33333300  0.66666700  0.26978900  1.0
  Mo  Mo5  1  0.66666700  0.33333300  0.26978900  1.0
  O  O6  1  0.30485000  0.30485000  0.70100500  1.0
  O  O7  1  0.69515000  0.00000000  0.70100500  1.0
  O  O8  1  0.00000000  0.69515000  0.70100500  1.0
  O  O9  1  0.69515000  0.69515000  0.29899500  1.0
  O  O10  1  0.00000000  0.30485000  0.29899500  1.0
  O  O11  1  0.30485000  0.00000000  0.29899500  1.0
  O  O12  1  0.33333300  0.66666700  0.00000000  1.0
  O  O13  1  0.66666700  0.33333300  0.00000000  1.0