# generated using pymatgen
data_Ca(MgAs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35434578
_cell_length_b   4.35434670
_cell_length_c   7.11395737
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000850
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(MgAs)2
_chemical_formula_sum   'Ca1 Mg2 As2'
_cell_volume   116.81208386
_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  1  0.00000000  0.00000000  -0.00000000  1.0
  Mg  Mg1  1  0.66666700  0.33333300  0.36502777  1.0
  Mg  Mg2  1  0.33333300  0.66666700  0.63497223  1.0
  As  As3  1  0.33333300  0.66666700  0.25097891  1.0
  As  As4  1  0.66666700  0.33333300  0.74902109  1.0