data_ZrCr2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   145.08
_cell_angle_beta   129.56
_cell_angle_gamma   62.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCr2In
_chemical_formula_sum   'Zr1 Cr2 In1'
_cell_volume   66.88
_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  0.0  0.0  0.97  1.0
  Cr  Cr0  1  0.61  0.0  0.32  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  In  In2  1  0.61  0.0  0.41  1.0

data_ZrCr2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.56
_cell_length_c   5.35
_cell_angle_alpha   115.22
_cell_angle_beta   107.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCr2In
_chemical_formula_sum   'Zr1 Cr2 In1'
_cell_volume   66.88
_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  0.97  0.97  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.0  0.32  0.71  1.0
  In  In3  1  0.0  0.41  0.81  1.0

Zr Cr Cr In