data_Zr2CrTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   139.95
_cell_angle_beta   139.95
_cell_angle_gamma   57.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CrTc
_chemical_formula_sum   'Zr2 Cr1 Tc1'
_cell_volume   71.16
_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
  Zr  Zr2  1  0.0  0.0  0.88  1.0
  Zr  Zr3  1  0.0  0.91  0.44  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.91  0.0  0.44  1.0

data_Zr2CrTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   5.58
_cell_angle_alpha   110.03
_cell_angle_beta   110.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CrTc
_chemical_formula_sum   'Zr2 Cr1 Tc1'
_cell_volume   71.16
_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
  Zr  Zr0  1  0.12  0.0  0.12  1.0
  Zr  Zr1  1  0.47  0.91  0.47  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.56  0.0  0.47  1.0

Zr Zr Cr Tc