data_MgNiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   137.04
_cell_angle_beta   137.04
_cell_angle_gamma   62.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNiAs2
_chemical_formula_sum   'Mg1 Ni1 As2'
_cell_volume   65.01
_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  Mg2  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.91  0.0  0.23  1.0
  As  As0  1  0.0  0.0  0.46  1.0
  As  As1  1  0.0  0.91  0.23  1.0

data_MgNiAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   5.21
_cell_angle_alpha   111.48
_cell_angle_beta   111.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNiAs2
_chemical_formula_sum   'Mg1 Ni1 As2'
_cell_volume   65.01
_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  0.0  1.0
  Ni  Ni1  1  0.77  0.0  0.68  1.0
  As  As2  1  0.54  0.0  0.54  1.0
  As  As3  1  0.68  0.91  0.68  1.0

Mg Ni As As