# generated using pymatgen
data_Ca20PtRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77804820
_cell_length_b   7.62253969
_cell_length_c   16.10423020
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.03098112
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca20PtRh3
_chemical_formula_sum   'Ca20 Pt1 Rh3'
_cell_volume   832.04009181
_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
  Ca  Ca0  1  0.35292182  0.30825955  0.06320094  1.0
  Ca  Ca1  1  0.64672224  0.69130540  0.93553604  1.0
  Ca  Ca2  1  0.85337636  0.19190138  0.93585733  1.0
  Ca  Ca3  1  0.64672224  0.69130540  0.56446396  1.0
  Ca  Ca4  1  0.14766066  0.80859406  0.06314520  1.0
  Ca  Ca5  1  0.35292182  0.30825955  0.43679906  1.0
  Ca  Ca6  1  0.14766066  0.80859406  0.43685480  1.0
  Ca  Ca7  1  0.85337636  0.19190138  0.56414267  1.0
  Ca  Ca8  1  0.15175302  0.08934855  0.25000000  1.0
  Ca  Ca9  1  0.84495820  0.90943156  0.75000000  1.0
  Ca  Ca10  1  0.65484449  0.40902964  0.75000000  1.0
  Ca  Ca11  1  0.34214321  0.59506138  0.25000000  1.0
  Ca  Ca12  1  0.32345582  0.03482043  0.64641195  1.0
  Ca  Ca13  1  0.67716848  0.96206758  0.35493357  1.0
  Ca  Ca14  1  0.82503105  0.46683495  0.35469980  1.0
  Ca  Ca15  1  0.67716848  0.96206758  0.14506643  1.0
  Ca  Ca16  1  0.17659952  0.53456895  0.64644705  1.0
  Ca  Ca17  1  0.32345582  0.03482043  0.85358805  1.0
  Ca  Ca18  1  0.17659952  0.53456895  0.85355295  1.0
  Ca  Ca19  1  0.82503105  0.46683495  0.14530020  1.0
  Pt  Pt20  1  0.53731641  0.25998452  0.25000000  1.0
  Rh  Rh21  1  0.46584990  0.74035316  0.75000000  1.0
  Rh  Rh22  1  0.03440318  0.24030094  0.75000000  1.0
  Rh  Rh23  1  0.96285969  0.75978463  0.25000000  1.0