data_[Ca10Ni10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.6092]
_cell_length_b [4.0586]
_cell_length_c [19.2456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6470]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaNi]
_chemical_formula_sum '[Ca10 Ni10]'
_cell_volume [436.6905]
_cell_formula_units_Z [10]
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  2  0.0608  0.7500  0.7282  1
  Ca  Ca1  2  0.1443  0.2500  0.0719  1
  Ca  Ca2  2  0.2425  0.2500  0.4723  1
  Ca  Ca3  2  0.3430  0.2500  0.8720  1
  Ca  Ca4  2  0.4535  0.7500  0.3284  1
  Ni  Ni5  2  0.0601  0.2500  0.6103  1
  Ni  Ni6  2  0.2068  0.7500  0.1901  1
  Ni  Ni7  2  0.2388  0.7500  0.5901  1
  Ni  Ni8  2  0.3946  0.2500  0.2104  1
  Ni  Ni9  2  0.4046  0.7500  0.9894  1
]