# generated using pymatgen
data_Ca2NiRhBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08915720
_cell_length_b   4.08915695
_cell_length_c   16.13595063
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999426
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2NiRhBr
_chemical_formula_sum   'Ca4 Ni2 Rh2 Br2'
_cell_volume   233.66453444
_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  0.61413906  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.38625532  1.0
  Ca  Ca2  1  0.00000000  0.00000000  0.11413906  1.0
  Ca  Ca3  1  0.00000000  0.00000000  0.88625532  1.0
  Ni  Ni4  1  0.66666700  0.33333300  0.99795232  1.0
  Ni  Ni5  1  0.33333300  0.66666700  0.49795232  1.0
  Rh  Rh6  1  0.66666700  0.33333300  0.50163881  1.0
  Rh  Rh7  1  0.33333300  0.66666700  0.00163881  1.0
  Br  Br8  1  0.66666700  0.33333300  0.25001449  1.0
  Br  Br9  1  0.33333300  0.66666700  0.75001449  1.0