# generated using pymatgen
data_TaCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87756070
_cell_length_b   4.87756118
_cell_length_c   4.87756143
_cell_angle_alpha   60.00000515
_cell_angle_beta   60.00000187
_cell_angle_gamma   59.99999251
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCr2
_chemical_formula_sum   'Ta2 Cr4'
_cell_volume   82.05275286
_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
  Ta  Ta0  1  0.12500000  0.12500000  0.12500000  1.0
  Ta  Ta1  1  0.87500000  0.87500000  0.87500000  1.0
  Cr  Cr2  1  0.50000000  0.00000000  0.50000000  1.0
  Cr  Cr3  1  0.00000000  0.50000000  0.50000000  1.0
  Cr  Cr4  1  0.50000000  0.50000000  0.50000000  1.0
  Cr  Cr5  1  0.50000000  0.50000000  -0.00000000  1.0