# generated using pymatgen
data_Ca2Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98853968
_cell_length_b   4.98853900
_cell_length_c   12.29302135
_cell_angle_alpha   78.29332940
_cell_angle_beta   78.29333103
_cell_angle_gamma   59.99999789
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Ni7
_chemical_formula_sum   'Ca4 Ni14'
_cell_volume   257.55904277
_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  0.94859400  0.94859400  0.15421700  1.0
  Ca  Ca1  1  0.05140600  0.05140600  0.84578300  1.0
  Ca  Ca2  1  0.85183300  0.85183300  0.44450200  1.0
  Ca  Ca3  1  0.14816700  0.14816700  0.55549800  1.0
  Ni  Ni4  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni5  1  0.72178700  0.72178700  0.83463800  1.0
  Ni  Ni6  1  0.27821300  0.27821300  0.16536200  1.0
  Ni  Ni7  1  0.61226600  0.61226600  0.16320200  1.0
  Ni  Ni8  1  0.38773400  0.38773400  0.83679800  1.0
  Ni  Ni9  1  0.00000000  0.50000000  0.00000000  1.0
  Ni  Ni10  1  0.50000000  0.00000000  0.00000000  1.0
  Ni  Ni11  1  0.50000000  0.50000000  0.00000000  1.0
  Ni  Ni12  1  0.39155300  0.39155300  0.32719200  1.0
  Ni  Ni13  1  0.88970300  0.39155300  0.32719200  1.0
  Ni  Ni14  1  0.39155300  0.88970300  0.32719200  1.0
  Ni  Ni15  1  0.60844700  0.60844700  0.67280800  1.0
  Ni  Ni16  1  0.11029700  0.60844700  0.67280800  1.0
  Ni  Ni17  1  0.60844700  0.11029700  0.67280800  1.0