data_Mn2NiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   33.01
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NiP
_chemical_formula_sum   'Mn2 Ni1 P1'
_cell_volume   48.67
_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
  Mn  Mn0  1  0.7  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.0  0.64  1.0
  Ni  Ni2  1  0.7  0.0  0.83  1.0
  P  P3  1  0.0  0.0  0.25  1.0

data_Mn2NiP
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   3.39
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   106.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NiP
_chemical_formula_sum   'Mn2 Ni1 P1'
_cell_volume   48.67
_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
  Mn  Mn0  1  0.36  0.0  0.36  1.0
  Mn  Mn1  1  1.0  0.7  1.0  1.0
  Ni  Ni2  1  0.17  0.7  0.17  1.0
  P  P3  1  0.75  0.0  0.75  1.0

Mn Mn Ni P