# generated using pymatgen
data_CaPr3Ni14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97431403
_cell_length_b   4.97431338
_cell_length_c   12.40233933
_cell_angle_alpha   78.43150162
_cell_angle_beta   78.43150049
_cell_angle_gamma   59.99999427
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPr3Ni14
_chemical_formula_sum   'Ca1 Pr3 Ni14'
_cell_volume   258.54314212
_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  0.14753330  0.14753330  0.55739811  1.0
  Pr  Pr1  1  0.94891903  0.94891903  0.15324292  1.0
  Pr  Pr2  1  0.05256222  0.05256222  0.84231534  1.0
  Pr  Pr3  1  0.85116823  0.85116823  0.44649531  1.0
  Ni  Ni4  1  0.49949260  0.49949260  0.50152121  1.0
  Ni  Ni5  1  0.72167568  0.72167568  0.83497096  1.0
  Ni  Ni6  1  0.27846575  0.27846575  0.16460274  1.0
  Ni  Ni7  1  0.61226790  0.61226790  0.16319729  1.0
  Ni  Ni8  1  0.38762444  0.38762444  0.83712669  1.0
  Ni  Ni9  1  0.00000093  0.50019021  0.99961964  1.0
  Ni  Ni10  1  0.50019021  0.00000093  0.99961964  1.0
  Ni  Ni11  1  0.50019021  0.50019021  0.99961964  1.0
  Ni  Ni12  1  0.39189341  0.39189341  0.32610145  1.0
  Ni  Ni13  1  0.89011173  0.39189341  0.32610145  1.0
  Ni  Ni14  1  0.39189341  0.89011173  0.32610145  1.0
  Ni  Ni15  1  0.60780930  0.60780930  0.67398805  1.0
  Ni  Ni16  1  0.11039135  0.60780930  0.67398805  1.0
  Ni  Ni17  1  0.60780930  0.11039135  0.67398805  1.0