data_[Ca3Mg2Ni2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.1766]
_cell_length_b [4.1766]
_cell_length_c [15.5624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ca3Mg2(NiAs2)2]
_chemical_formula_sum '[Ca3 Mg2 Ni2 As4]'
_cell_volume [235.0972]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.2629  1.0
  Ca  Ca1  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  2  0.3333  0.6667  0.4392  1.0
  Ni  Ni3  2  0.3333  0.6667  0.8684  1.0
  As  As4  2  0.3333  0.6667  0.1316  1.0
  As  As5  2  0.3333  0.6667  0.6193  1.0
]