# generated using pymatgen
data_Mn3NiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47079165
_cell_length_b   6.81123501
_cell_length_c   5.88052924
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3NiP2
_chemical_formula_sum   'Mn6 Ni2 P4'
_cell_volume   139.01793171
_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
  Mn  Mn0  1  0.00000000  0.63883100  0.81104500  1
  Mn  Mn1  1  0.00000000  0.13883100  0.18895500  1
  Mn  Mn2  1  0.50000000  0.47038800  0.08678700  1
  Mn  Mn3  1  0.50000000  0.97038800  0.91321300  1
  Mn  Mn4  1  0.00000000  0.53383300  0.41834300  1
  Mn  Mn5  1  0.00000000  0.03383300  0.58165700  1
  Ni  Ni6  1  0.50000000  0.35290800  0.68175100  1
  Ni  Ni7  1  0.50000000  0.85290800  0.31824900  1
  P  P8  1  0.50000000  0.73790200  0.62703100  1
  P  P9  1  0.50000000  0.23790200  0.37296900  1
  P  P10  1  0.00000000  0.26613700  0.88328500  1
  P  P11  1  0.00000000  0.76613700  0.11671500  1
