data_TaZn2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   133.65
_cell_angle_beta   133.65
_cell_angle_gamma   67.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZn2Cr
_chemical_formula_sum   'Ta1 Zn2 Cr1'
_cell_volume   58.38
_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  0.9  0.0  0.01  1.0
  Zn  Zn2  1  0.0  0.0  0.02  1.0
  Zn  Zn3  1  0.0  0.9  0.01  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_TaZn2Cr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   123.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaZn2Cr
_chemical_formula_sum   'Ta2 Zn4 Cr2'
_cell_volume   116.76
_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  2  0.0  0.0  0.89  1.0
  Zn  Zn1  2  0.4  0.5  0.89  1.0
  Zn  Zn2  2  0.49  0.5  0.98  1.0
  Cr  Cr3  2  0.01  0.0  0.0  1.0

Ta Zn Zn Cr