data_Be2CoSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   4.43
_cell_angle_alpha   133.96
_cell_angle_beta   133.96
_cell_angle_gamma   67.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CoSe
_chemical_formula_sum   'Be2 Co1 Se1'
_cell_volume   44.17
_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
  Be  Be0  1  0.73  0.0  0.84  1.0
  Be  Be1  1  0.0  0.73  0.84  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.0  0.69  1.0

data_Be2CoSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.43
_cell_angle_alpha   90.0
_cell_angle_beta   123.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be2CoSe
_chemical_formula_sum   'Be4 Co2 Se2'
_cell_volume   88.33
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Be  Be0  4  0.02  0.13  0.89  1.0
  Co  Co1  2  0.0  0.0  0.0  1.0
  Se  Se2  2  0.31  0.0  0.31  1.0

Be Be Co Se
Be Be Co Se 0 2 + o + 1 2 o + + 2 3 o o - 