data_MgNi2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   45.15
_cell_angle_beta   45.15
_cell_angle_gamma   45.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNi2P
_chemical_formula_sum   'Mg1 Ni2 P1'
_cell_volume   54.94
_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
  Mg  Mg0  1  0.0  0.0  0.05  1.0
  Ni  Ni1  1  0.0  0.0  0.76  1.0
  Ni  Ni2  1  0.0  0.0  0.72  1.0
  P  P3  1  0.0  0.0  0.49  1.0

data_MgNi2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.56
_cell_length_b   3.79
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   116.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgNi2P
_chemical_formula_sum   'Mg2 Ni4 P2'
_cell_volume   109.89
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Mg  Mg0  2  -0.0  0.0  0.05  1.0
  Ni  Ni1  2  -0.0  0.0  0.72  1.0
  Ni  Ni2  2  -0.0  0.0  0.76  1.0
  P  P3  2  -0.0  0.0  0.49  1.0

Mg Ni Ni P