# generated using pymatgen
data_Ca2NiRhI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14603233
_cell_length_b   4.14603268
_cell_length_c   16.80809141
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998939
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2NiRhI
_chemical_formula_sum   'Ca4 Ni2 Rh2 I2'
_cell_volume   250.21565876
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.00000000  0.00000000  0.60746959  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.39280140  1.0
  Ca  Ca2  1  0.00000000  0.00000000  0.10746959  1.0
  Ca  Ca3  1  0.00000000  0.00000000  0.89280140  1.0
  Ni  Ni4  1  0.66666700  0.33333300  0.99876681  1.0
  Ni  Ni5  1  0.33333300  0.66666700  0.49876681  1.0
  Rh  Rh6  1  0.66666700  0.33333300  0.50086032  1.0
  Rh  Rh7  1  0.33333300  0.66666700  0.00086032  1.0
  I  I8  1  0.66666700  0.33333300  0.25010288  1.0
  I  I9  1  0.33333300  0.66666700  0.75010288  1.0