data_BeCr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.58
_cell_angle_alpha   143.48
_cell_angle_beta   129.71
_cell_angle_gamma   63.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCr3
_chemical_formula_sum   'Be1 Cr3'
_cell_volume   43.42
_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  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.95  0.86  1.0
  Cr  Cr2  1  0.0  0.0  0.89  1.0
  Cr  Cr3  1  0.43  0.0  0.03  1.0

data_BeCr3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   3.89
_cell_length_c   4.58
_cell_angle_alpha   115.15
_cell_angle_beta   108.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCr3
_chemical_formula_sum   'Be1 Cr3'
_cell_volume   43.42
_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  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.03  0.6  1.0
  Cr  Cr2  1  0.0  0.89  0.89  1.0
  Cr  Cr3  1  0.05  0.91  0.91  1.0

Be Cr Cr Cr