data_ZrCrIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   139.26
_cell_angle_beta   132.55
_cell_angle_gamma   64.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCrIn2
_chemical_formula_sum   'Zr1 Cr1 In2'
_cell_volume   83.73
_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  Zr3  1  0.95  0.0  0.66  1.0
  Cr  Cr0  1  0.0  0.0  0.42  1.0
  In  In1  1  0.95  0.0  0.04  1.0
  In  In2  1  0.0  0.0  0.12  1.0

data_ZrCrIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   4.51
_cell_length_c   5.61
_cell_angle_alpha   113.72
_cell_angle_beta   110.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCrIn2
_chemical_formula_sum   'Zr1 Cr1 In2'
_cell_volume   83.73
_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  0.0  0.66  0.71  1.0
  Cr  Cr1  1  0.0  0.42  0.42  1.0
  In  In2  1  0.0  0.04  0.09  1.0
  In  In3  1  0.0  0.12  0.12  1.0

Zr Cr In In