data_Mg2CoSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   3.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CoSe
_chemical_formula_sum   'Mg2 Co1 Se1'
_cell_volume   67.9
_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  Mg1  1  0.54  0.58  0.74  1.0
  Mg  Mg2  1  0.54  0.42  0.74  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.09  0.0  0.0  1.0

data_Mg2CoSe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.49
_cell_length_b   4.41
_cell_length_c   4.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Mg2CoSe
_chemical_formula_sum   'Mg2 Co1 Se1'
_cell_volume   67.92
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.74  0.42  0.54  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.0  0.0  0.09  1.0

Mg Mg Co Se