# generated using pymatgen
data_Ca5Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83859553
_cell_length_b   7.65744752
_cell_length_c   16.05838905
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5Pt
_chemical_formula_sum   'Ca20 Pt4'
_cell_volume   840.91659474
_cell_formula_units_Z   4
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  0.35285750  0.31083724  0.06277570  1.0
  Ca  Ca1  1  0.64714250  0.68916276  0.93722430  1.0
  Ca  Ca2  1  0.85285750  0.18916276  0.93722430  1.0
  Ca  Ca3  1  0.64714250  0.68916276  0.56277570  1.0
  Ca  Ca4  1  0.14714250  0.81083724  0.06277570  1.0
  Ca  Ca5  1  0.35285750  0.31083724  0.43722430  1.0
  Ca  Ca6  1  0.14714250  0.81083724  0.43722430  1.0
  Ca  Ca7  1  0.85285750  0.18916276  0.56277570  1.0
  Ca  Ca8  1  0.15585835  0.09531713  0.25000000  1.0
  Ca  Ca9  1  0.84414165  0.90468287  0.75000000  1.0
  Ca  Ca10  1  0.65585835  0.40468287  0.75000000  1.0
  Ca  Ca11  1  0.34414165  0.59531713  0.25000000  1.0
  Ca  Ca12  1  0.32511188  0.03622900  0.64426011  1.0
  Ca  Ca13  1  0.67488812  0.96377100  0.35573989  1.0
  Ca  Ca14  1  0.82511188  0.46377100  0.35573989  1.0
  Ca  Ca15  1  0.67488812  0.96377100  0.14426011  1.0
  Ca  Ca16  1  0.17488812  0.53622900  0.64426011  1.0
  Ca  Ca17  1  0.32511188  0.03622900  0.85573989  1.0
  Ca  Ca18  1  0.17488812  0.53622900  0.85573989  1.0
  Ca  Ca19  1  0.82511188  0.46377100  0.14426011  1.0
  Pt  Pt20  1  0.53895482  0.26203205  0.25000000  1.0
  Pt  Pt21  1  0.46104518  0.73796795  0.75000000  1.0
  Pt  Pt22  1  0.03895482  0.23796795  0.75000000  1.0
  Pt  Pt23  1  0.96104518  0.76203205  0.25000000  1.0