# generated using pymatgen
data_NaCa(BPt3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57594423
_cell_length_b   5.57594554
_cell_length_c   5.61554671
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999219
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCa(BPt3)2
_chemical_formula_sum   'Na1 Ca1 B2 Pt6'
_cell_volume   151.20273766
_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
  Na  Na0  1  0.00000000  0.00000000  0.50000000  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.00000000  1.0
  B  B2  1  0.66666700  0.33333300  0.50000000  1.0
  B  B3  1  0.33333300  0.66666700  0.50000000  1.0
  Pt  Pt4  1  0.50000000  0.50000000  0.75523752  1.0
  Pt  Pt5  1  0.00000000  0.50000000  0.75523752  1.0
  Pt  Pt6  1  0.50000000  0.00000000  0.75523752  1.0
  Pt  Pt7  1  0.00000000  0.50000000  0.24476248  1.0
  Pt  Pt8  1  0.50000000  0.50000000  0.24476248  1.0
  Pt  Pt9  1  0.50000000  0.00000000  0.24476248  1.0