data_MnNiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   138.32
_cell_angle_beta   138.32
_cell_angle_gamma   60.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNiAs2
_chemical_formula_sum   'Mn1 Ni1 As2'
_cell_volume   58.28
_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  Mn2  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.82  0.0  0.21  1.0
  As  As0  1  0.0  0.0  0.41  1.0
  As  As1  1  0.0  0.82  0.21  1.0

data_MnNiAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   3.63
_cell_length_c   5.11
_cell_angle_alpha   110.84
_cell_angle_beta   110.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNiAs2
_chemical_formula_sum   'Mn1 Ni1 As2'
_cell_volume   58.28
_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  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.21  0.39  0.39  1.0
  As  As2  1  0.39  0.21  0.39  1.0
  As  As3  1  0.41  0.41  0.41  1.0

Mn Ni As As