data_Ta8Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   6.59
_cell_angle_alpha   95.73
_cell_angle_beta   95.73
_cell_angle_gamma   143.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta8Cr
_chemical_formula_sum   'Ta8 Cr1'
_cell_volume   162.76
_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
  Ta  Ta1  1  0.43  0.57  0.08  1.0
  Ta  Ta2  1  0.57  0.43  0.08  1.0
  Ta  Ta3  1  0.0  0.94  0.0  1.0
  Ta  Ta4  1  0.99  0.99  0.0  1.0
  Ta  Ta5  1  0.94  0.0  0.0  1.0
  Ta  Ta6  1  0.43  0.43  0.08  1.0
  Ta  Ta7  1  0.0  0.91  0.0  1.0
  Ta  Ta8  1  0.91  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_Ta8Cr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.16
_cell_length_b   12.5
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   108.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta8Cr
_chemical_formula_sum   'Ta16 Cr2'
_cell_volume   325.51
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  -0.0  0.43  0.92  1.0
  Ta  Ta1  4  0.03  0.03  -0.0  1.0
  Ta  Ta2  4  0.05  0.05  -0.0  1.0
  Ta  Ta3  2  0.01  0.0  0.0  1.0
  Ta  Ta4  2  0.07  0.5  0.92  1.0
  Cr  Cr5  2  0.0  0.0  0.0  1.0

Ta Ta Ta Ta Ta Ta Ta Ta Cr