data_CaNi2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   3.62
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   103.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNi2P
_chemical_formula_sum   'Ca1 Ni2 P1'
_cell_volume   68.12
_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  0.04  0.0  0.73  1.0
  Ni  Ni1  1  0.36  0.81  0.46  1.0
  Ni  Ni2  1  0.73  0.81  1.0  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_CaNi2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   3.62
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   103.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNi2P
_chemical_formula_sum   'Ca1 Ni2 P1'
_cell_volume   68.12
_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  0.04  0.0  0.73  1.0
  Ni  Ni1  1  0.36  0.81  0.46  1.0
  Ni  Ni2  1  0.73  0.81  1.0  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Ca Ni Ni P