# generated using pymatgen
data_CaNi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28539513
_cell_length_b   6.28539513
_cell_length_c   6.28539513
_cell_angle_alpha   133.56636821
_cell_angle_beta   103.01470972
_cell_angle_gamma   94.91078420
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNi5
_chemical_formula_sum   'Ca2 Ni10'
_cell_volume   164.78539916
_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  0.75000000  0.48021500  0.73021500  1.0
  Ca  Ca1  1  0.25000000  0.51978500  0.26978500  1.0
  Ni  Ni2  1  0.08314400  0.86254500  0.77940100  1.0
  Ni  Ni3  1  0.41685600  0.19625800  0.77940100  1.0
  Ni  Ni4  1  0.58314400  0.80374200  0.22059900  1.0
  Ni  Ni5  1  0.91685600  0.13745500  0.22059900  1.0
  Ni  Ni6  1  0.00000000  0.00000000  0.50000000  1.0
  Ni  Ni7  1  0.50000000  0.00000000  0.00000000  1.0
  Ni  Ni8  1  0.74031300  0.00000000  0.74031300  1.0
  Ni  Ni9  1  0.75968700  0.50000000  0.25968700  1.0
  Ni  Ni10  1  0.24031300  0.50000000  0.74031300  1.0
  Ni  Ni11  1  0.25968700  0.00000000  0.25968700  1.0