data_Mg2CoAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   3.61
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   91.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CoAs
_chemical_formula_sum   'Mg2 Co1 As1'
_cell_volume   64.23
_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  0.52  0.8  0.33  1.0
  Mg  Mg3  1  0.48  0.8  0.36  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.93  0.0  0.85  1.0

data_Mg2CoAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   3.61
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   91.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CoAs
_chemical_formula_sum   'Mg2 Co1 As1'
_cell_volume   64.23
_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  0.48  0.8  0.36  1.0
  Mg  Mg1  1  0.52  0.8  0.33  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.93  0.0  0.85  1.0

Mg Mg Co As