[CIF]
data_MgCo2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12397261
_cell_length_b   4.12397261
_cell_length_c   4.12397261
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCo2As
_chemical_formula_sum   'Mg1 Co2 As1'
_cell_volume   49.59436336
_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
  As  As0  1  2.91608900  2.91608900  2.91608900  1
  Co  Co1  1  4.37413350  4.37413350  4.37413350  1
  Co  Co2  1  1.45804450  1.45804450  1.45804450  1
  Mg  Mg3  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
